3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine

C96H170F2N16O2S4 — CID 158826394

IUPAC3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine
SMILESCC(C)CCN1CCCC(F)(F)C1.CC(C)CCN1CCOCC1.CC(C)CCc1ccccn1.CC(C)CCc1cncs1.CC(C)CCc1csc(N(C)C)n1.CC(C)CCc1csc(NC(C)C)n1.CC(C)CCc1nc(C(C)C)no1.CC(C)CCn1nccn1.CCNc1nc(CCC(C)C)cs1.Cc1cccc(CCC(C)C)n1
InChIInChI=1S/C11H20N2S.C11H17N.C10H19F2N.C10H18N2O.2C10H18N2S.C10H15N.C9H19NO.C8H13NS.C7H13N3/c1-8(2)5-6-10-7-14-11(13-10)12-9(3)4;1-9(2)7-8-11-6-4-5-10(3)12-11;1-9(2)4-7-13-6-3-5-10(11,12)8-13;1-7(2)5-6-9-11-10(8(3)4)12-13-9;1-8(2)5-6-9-7-13-10(11-9)12(3)4;1-4-11-10-12-9(7-13-10)6-5-8(2)3;1-9(2)6-7-10-5-3-4-8-11-10;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)3-4-8-5-9-6-10-8;1-7(2)3-6-10-8-4-5-9-10/h7-9H,5-6H2,1-4H3,(H,12,13);4-6,9H,7-8H2,1-3H3;9H,3-8H2,1-2H3;2*7-8H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3,(H,11,12);3-5,8-9H,6-7H2,1-2H3;9H,3-8H2,1-2H3;5-7H,3-4H2,1-2H3;4-5,7H,3,6H2,1-2H3
InChIKeyIWMWHSYSQVUIBA-UHFFFAOYSA-N
MW1746.79 g/mol
LogP26.13
Rot. Bonds36

About 3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine

3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine (PubChem CID 158826394) has the molecular formula C96H170F2N16O2S4 and a molecular weight of 1746.79 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine.

Molecular Properties

Compound Name3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine
PubChem CID158826394
Molecular FormulaC96H170F2N16O2S4
Molecular Weight1746.79 g/mol
Exact Mass1745.25
IUPAC Name3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine
SMILESCC(C)CCN1CCCC(F)(F)C1.CC(C)CCN1CCOCC1.CC(C)CCc1ccccn1.CC(C)CCc1cncs1.CC(C)CCc1csc(N(C)C)n1.CC(C)CCc1csc(NC(C)C)n1.CC(C)CCc1nc(C(C)C)no1.CC(C)CCn1nccn1.CCNc1nc(CCC(C)C)cs1.Cc1cccc(CCC(C)C)n1
InChIInChI=1S/C11H20N2S.C11H17N.C10H19F2N.C10H18N2O.2C10H18N2S.C10H15N.C9H19NO.C8H13NS.C7H13N3/c1-8(2)5-6-10-7-14-11(13-10)12-9(3)4;1-9(2)7-8-11-6-4-5-10(3)12-11;1-9(2)4-7-13-6-3-5-10(11,12)8-13;1-7(2)5-6-9-11-10(8(3)4)12-13-9;1-8(2)5-6-9-7-13-10(11-9)12(3)4;1-4-11-10-12-9(7-13-10)6-5-8(2)3;1-9(2)6-7-10-5-3-4-8-11-10;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)3-4-8-5-9-6-10-8;1-7(2)3-6-10-8-4-5-9-10/h7-9H,5-6H2,1-4H3,(H,12,13);4-6,9H,7-8H2,1-3H3;9H,3-8H2,1-2H3;2*7-8H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3,(H,11,12);3-5,8-9H,6-7H2,1-2H3;9H,3-8H2,1-2H3;5-7H,3-4H2,1-2H3;4-5,7H,3,6H2,1-2H3
InChIKeyIWMWHSYSQVUIBA-UHFFFAOYSA-N
XLogP26.13
TPSA189.98 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001746.79
LogP ≤ 526.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;2-cyclopropyl-6-(2-methylpropyl)pyridine;4-cyclopropyl-2-(2-methylpropyl)triazole;3,3-difluoro-1-(2-methylpropyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4,5-dimethyl-1-(2-methylpropyl)triazole;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)triazole;4-methyl-2-(2-methylpropyl)triazole;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)triazole;2-(2-methylpropyl)triazole
CID 158126927
2-bromo-6-methyl-N-(2-methylpropyl)pyridin-3-amine;3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-[(E)-3-methylbut-1-enyl]pyridine;N-(2-methylpropyl)pyrimidin-2-amine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropylsulfanyl)pyrimidine
CID 160745027
N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;2-cyclopropyl-6-(2-methylpropyl)pyridine;4-cyclopropyl-2-(2-methylpropyl)triazole;3,3-difluoro-1-(2-methylpropyl)piperidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;4,5-dimethyl-1-(2-methylpropyl)triazole;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2-methyl-6-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)triazole;4-methyl-2-(2-methylpropyl)triazole;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;1-(2-methylpropyl)triazole;2-(2-methylpropyl)triazole
CID 161467698
3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)triazole;2-methyl-6-[(E)-3-methylbut-1-enyl]pyridine
CID 161573662
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthiomorpholine;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 157990127

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine?
The IUPAC name of 3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine (CID 158826394) is 3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine.
What is the SMILES notation for 3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine?
The canonical SMILES for 3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine is CC(C)CCN1CCCC(F)(F)C1.CC(C)CCN1CCOCC1.CC(C)CCc1ccccn1.CC(C)CCc1cncs1.CC(C)CCc1csc(N(C)C)n1.CC(C)CCc1csc(NC(C)C)n1.CC(C)CCc1nc(C(C)C)no1.CC(C)CCn1nccn1.CCNc1nc(CCC(C)C)cs1.Cc1cccc(CCC(C)C)n1.
What is the InChIKey of 3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine?
The InChIKey is IWMWHSYSQVUIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S.C11H17N.C10H19F2N.C10H18N2O.2C10H18N2S.C10H15N.C9H19NO.C8H13NS.C7H13N3/c1-8(2)5-6-10-7-14-11(13-10)12-9(3)4;1-9(2)7-8-11-6-4-5-10(3)12-11;1-9(2)4-7-13-6-3-5-10(11,12)8-13;1-7(2)5-6-9-11-10(8(3)4)12-13-9;1-8(2)5-6-9-7-13-10(11-9)12(3)4;1-4-11-10-12-9(7-13-10)6-5-8(2)3;1-9(2)6-7-10-5-3-4-8-11-10;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)3-4-8-5-9-6-10-8;1-7(2)3-6-10-8-4-5-9-10/h7-9H,5-6H2,1-4H3,(H,12,13);4-6,9H,7-8H2,1-3H3;9H,3-8H2,1-2H3;2*7-8H,5-6H2,1-4H3;7-8H,4-6H2,1-3H3,(H,11,12);3-5,8-9H,6-7H2,1-2H3;9H,3-8H2,1-2H3;5-7H,3-4H2,1-2H3;4-5,7H,3,6H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine?
3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine has a molecular weight of 1746.79 g/mol, XLogP of 26.13, 36 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(3-methylbutyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)morpholine;5-(3-methylbutyl)-3-propan-2-yl-1,2,4-oxadiazole;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(3-methylbutyl)pyridine is sourced from PubChem (CID 158826394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).