1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine

C107H227F6N13O — CID 158043112

IUPAC1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine
SMILESC.CC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)CC1(C(F)(F)F)CC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)CN(C)C.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)N1CCCC1.CC(C)N1CCOCC1.CCN(CC)CC(C)C
InChIInChI=1S/C9H15F3.C9H20N2.4C9H19N.C8H13F3.C8H18N2.C8H17N.C8H19N.C7H15NO.C7H15N.C6H15N.CH4/c1-7(2,3)6-8(4-5-8)9(10,11)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2,3)10-7-5-4-6-8-10;3*1-9(2)8-10-6-4-3-5-7-10;1-6(2,3)7(4-5-7)8(9,10)11;1-8(2,3)10-6-4-9-5-7-10;1-8(2)7-9-5-3-4-6-9;1-5-9(6-2)7-8(3)4;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)5-7(3)4;/h4-6H2,1-3H3;9H,4-8H2,1-3H3;4-8H2,1-3H3;3*9H,3-8H2,1-2H3;4-5H2,1-3H3;9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;8H,5-7H2,1-4H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,5H2,1-4H3;1H4
InChIKeyFIPBAPLXWBIXFB-UHFFFAOYSA-N
MW1826.07 g/mol
LogP25.16
Rot. Bonds19

About 1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine

1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine (PubChem CID 158043112) has the molecular formula C107H227F6N13O and a molecular weight of 1826.07 g/mol. Its IUPAC name is 1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine
PubChem CID158043112
Molecular FormulaC107H227F6N13O
Molecular Weight1826.07 g/mol
Exact Mass1824.80
IUPAC Name1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine
SMILESC.CC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)CC1(C(F)(F)F)CC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)CN(C)C.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)N1CCCC1.CC(C)N1CCOCC1.CCN(CC)CC(C)C
InChIInChI=1S/C9H15F3.C9H20N2.4C9H19N.C8H13F3.C8H18N2.C8H17N.C8H19N.C7H15NO.C7H15N.C6H15N.CH4/c1-7(2,3)6-8(4-5-8)9(10,11)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2,3)10-7-5-4-6-8-10;3*1-9(2)8-10-6-4-3-5-7-10;1-6(2,3)7(4-5-7)8(9,10)11;1-8(2,3)10-6-4-9-5-7-10;1-8(2)7-9-5-3-4-6-9;1-5-9(6-2)7-8(3)4;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)5-7(3)4;/h4-6H2,1-3H3;9H,4-8H2,1-3H3;4-8H2,1-3H3;3*9H,3-8H2,1-2H3;4-5H2,1-3H3;9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;8H,5-7H2,1-4H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,5H2,1-4H3;1H4
InChIKeyFIPBAPLXWBIXFB-UHFFFAOYSA-N
XLogP25.16
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.07
LogP ≤ 525.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine?
The IUPAC name of 1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine (CID 158043112) is 1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine is C.CC(C)(C)C1(C(F)(F)F)CC1.CC(C)(C)CC1(C(F)(F)F)CC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)CN(C)C.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C)CC1.CC(C)N1CCCC1.CC(C)N1CCOCC1.CCN(CC)CC(C)C.
What is the InChIKey of 1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine?
The InChIKey is FIPBAPLXWBIXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3.C9H20N2.4C9H19N.C8H13F3.C8H18N2.C8H17N.C8H19N.C7H15NO.C7H15N.C6H15N.CH4/c1-7(2,3)6-8(4-5-8)9(10,11)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2,3)10-7-5-4-6-8-10;3*1-9(2)8-10-6-4-3-5-7-10;1-6(2,3)7(4-5-7)8(9,10)11;1-8(2,3)10-6-4-9-5-7-10;1-8(2)7-9-5-3-4-6-9;1-5-9(6-2)7-8(3)4;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)5-7(3)4;/h4-6H2,1-3H3;9H,4-8H2,1-3H3;4-8H2,1-3H3;3*9H,3-8H2,1-2H3;4-5H2,1-3H3;9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;8H,5-7H2,1-4H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,5H2,1-4H3;1H4.
What are the key properties of 1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine?
1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine has a molecular weight of 1826.07 g/mol, XLogP of 25.16, 19 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butyl-1-(trifluoromethyl)cyclopropane;N,N-diethyl-2-methylpropan-1-amine;1-(2,2-dimethylpropyl)-1-(trifluoromethyl)cyclopropane;methane;1-methyl-4-(2-methylpropyl)piperazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine;N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 158043112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).