N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole

C177H283N27O12S2 — CID 161223303

IUPACN-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole
SMILESCC(C)C(=O)c1ccccc1.CC(C)C(=O)c1ccccc1.CC(C)C(=O)c1ccccc1.CC(C)N(C)C.CC(C)N(C)Cc1ccccc1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1nccs1.CCN(CC)C(C)C.COc1cnc(C(C)C)nc1.COc1cnc(C(C)C)nc1.COc1nc(C)cc(C(C)C)n1.COc1nc(C)cc(C(C)C)n1.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)no1.Cc1cc(C)nc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)c1C.Cc1noc(C(C)C)c1C
InChIInChI=1S/C11H17N.3C10H12O.2C9H14N2O.C9H14N2.2C8H12N2O.C8H18N2.C8H12N2.2C8H13NO.2C8H11N.C7H15NO.2C7H11NO.C7H17N.C6H10N2S.C6H9NS.C5H13N/c1-10(2)12(3)9-11-7-5-4-6-8-11;3*1-8(2)10(11)9-6-4-3-5-7-9;2*1-6(2)8-5-7(3)10-9(11-8)12-4;1-6(2)9-10-7(3)5-8(4)11-9;2*1-6(2)8-9-4-7(11-3)5-10-8;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-9-5-4-7(3)10-8;2*1-5(2)8-6(3)7(4)9-10-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;2*1-5(2)7-4-6(3)9-8-7;1-5-8(6-2)7(3)4;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6;1-5(2)6(3)4/h4-8,10H,9H2,1-3H3;3*3-8H,1-2H3;2*5-6H,1-4H3;5-6H,1-4H3;2*4-6H,1-3H3;8H,4-7H2,1-3H3;4-6H,1-3H3;2*5H,1-4H3;2*3-7H,1-2H3;7H,3-6H2,1-2H3;2*4-5H,1-3H3;7H,5-6H2,1-4H3;4H,1-3H3;3-5H,1-2H3;5H,1-4H3
InChIKeyUXUJZMIYJOFQQY-UHFFFAOYSA-N
MW3045.52 g/mol
LogP43.03
Rot. Bonds33

About N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole

N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole (PubChem CID 161223303) has the molecular formula C177H283N27O12S2 and a molecular weight of 3045.52 g/mol. Its IUPAC name is N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound NameN-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole
PubChem CID161223303
Molecular FormulaC177H283N27O12S2
Molecular Weight3045.52 g/mol
Exact Mass3043.18
IUPAC NameN-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole
SMILESCC(C)C(=O)c1ccccc1.CC(C)C(=O)c1ccccc1.CC(C)C(=O)c1ccccc1.CC(C)N(C)C.CC(C)N(C)Cc1ccccc1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1nccs1.CCN(CC)C(C)C.COc1cnc(C(C)C)nc1.COc1cnc(C(C)C)nc1.COc1nc(C)cc(C(C)C)n1.COc1nc(C)cc(C(C)C)n1.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)no1.Cc1cc(C)nc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)c1C.Cc1noc(C(C)C)c1C
InChIInChI=1S/C11H17N.3C10H12O.2C9H14N2O.C9H14N2.2C8H12N2O.C8H18N2.C8H12N2.2C8H13NO.2C8H11N.C7H15NO.2C7H11NO.C7H17N.C6H10N2S.C6H9NS.C5H13N/c1-10(2)12(3)9-11-7-5-4-6-8-11;3*1-8(2)10(11)9-6-4-3-5-7-9;2*1-6(2)8-5-7(3)10-9(11-8)12-4;1-6(2)9-10-7(3)5-8(4)11-9;2*1-6(2)8-9-4-7(11-3)5-10-8;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-9-5-4-7(3)10-8;2*1-5(2)8-6(3)7(4)9-10-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;2*1-5(2)7-4-6(3)9-8-7;1-5-8(6-2)7(3)4;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6;1-5(2)6(3)4/h4-8,10H,9H2,1-3H3;3*3-8H,1-2H3;2*5-6H,1-4H3;5-6H,1-4H3;2*4-6H,1-3H3;8H,4-7H2,1-3H3;4-6H,1-3H3;2*5H,1-4H3;2*3-7H,1-2H3;7H,3-6H2,1-2H3;2*4-5H,1-3H3;7H,5-6H2,1-4H3;4H,1-3H3;3-5H,1-2H3;5H,1-4H3
InChIKeyUXUJZMIYJOFQQY-UHFFFAOYSA-N
XLogP43.03
TPSA440.05 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds33
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003045.52
LogP ≤ 543.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole?
The IUPAC name of N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole (CID 161223303) is N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole?
The canonical SMILES for N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole is CC(C)C(=O)c1ccccc1.CC(C)C(=O)c1ccccc1.CC(C)C(=O)c1ccccc1.CC(C)N(C)C.CC(C)N(C)Cc1ccccc1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1nccs1.CCN(CC)C(C)C.COc1cnc(C(C)C)nc1.COc1cnc(C(C)C)nc1.COc1nc(C)cc(C(C)C)n1.COc1nc(C)cc(C(C)C)n1.Cc1cc(C(C)C)no1.Cc1cc(C(C)C)no1.Cc1cc(C)nc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)c1C.Cc1noc(C(C)C)c1C.
What is the InChIKey of N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole?
The InChIKey is UXUJZMIYJOFQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.3C10H12O.2C9H14N2O.C9H14N2.2C8H12N2O.C8H18N2.C8H12N2.2C8H13NO.2C8H11N.C7H15NO.2C7H11NO.C7H17N.C6H10N2S.C6H9NS.C5H13N/c1-10(2)12(3)9-11-7-5-4-6-8-11;3*1-8(2)10(11)9-6-4-3-5-7-9;2*1-6(2)8-5-7(3)10-9(11-8)12-4;1-6(2)9-10-7(3)5-8(4)11-9;2*1-6(2)8-9-4-7(11-3)5-10-8;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-9-5-4-7(3)10-8;2*1-5(2)8-6(3)7(4)9-10-8;2*1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;2*1-5(2)7-4-6(3)9-8-7;1-5-8(6-2)7(3)4;1-4(2)6-8-7-5(3)9-6;1-5(2)6-7-3-4-8-6;1-5(2)6(3)4/h4-8,10H,9H2,1-3H3;3*3-8H,1-2H3;2*5-6H,1-4H3;5-6H,1-4H3;2*4-6H,1-3H3;8H,4-7H2,1-3H3;4-6H,1-3H3;2*5H,1-4H3;2*3-7H,1-2H3;7H,3-6H2,1-2H3;2*4-5H,1-3H3;7H,5-6H2,1-4H3;4H,1-3H3;3-5H,1-2H3;5H,1-4H3.
What are the key properties of N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole?
N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole has a molecular weight of 3045.52 g/mol, XLogP of 43.03, 33 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylpropan-2-amine;N,N-diethylpropan-2-amine;N,N-dimethylpropan-2-amine;bis(3,4-dimethyl-5-propan-2-yl-1,2-oxazole);4,6-dimethyl-2-propan-2-ylpyrimidine;bis(2-methoxy-4-methyl-6-propan-2-ylpyrimidine);bis(5-methoxy-2-propan-2-ylpyrimidine);tris(2-methyl-1-phenylpropan-1-one);bis(5-methyl-3-propan-2-yl-1,2-oxazole);1-methyl-4-propan-2-ylpiperazine;4-methyl-2-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;4-propan-2-ylmorpholine;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 161223303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).