1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine

C16H34N2S — CID 112658500

IUPAC1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine
SMILESCCC(CSC)N(C)C1(CN)CCCCC1C(C)C
InChIInChI=1S/C16H34N2S/c1-6-14(11-19-5)18(4)16(12-17)10-8-7-9-15(16)13(2)3/h13-15H,6-12,17H2,1-5H3
InChIKeyKSWYEABXAFBRAQ-UHFFFAOYSA-N
MW286.53 g/mol
LogP3.60
Rot. Bonds7

About 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 112658500) has the molecular formula C16H34N2S and a molecular weight of 286.53 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID112658500
Molecular FormulaC16H34N2S
Molecular Weight286.53 g/mol
Exact Mass286.24
IUPAC Name1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine
SMILESCCC(CSC)N(C)C1(CN)CCCCC1C(C)C
InChIInChI=1S/C16H34N2S/c1-6-14(11-19-5)18(4)16(12-17)10-8-7-9-15(16)13(2)3/h13-15H,6-12,17H2,1-5H3
InChIKeyKSWYEABXAFBRAQ-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine
CID 112658341
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 112658395
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine
CID 115985690
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine
CID 105414055
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,1-dioxothian-4-amine
CID 112658472
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 115985663
1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872183
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine
CID 112658408
1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
CID 65045613
3-(aminomethyl)-N,2-dimethyl-N-pentan-3-ylthian-3-amine
CID 79956979
1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 112658132
1-(aminomethyl)-2,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylcyclohexan-1-amine
CID 79483197

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine (CID 112658500) is 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine is CCC(CSC)N(C)C1(CN)CCCCC1C(C)C.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is KSWYEABXAFBRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2S/c1-6-14(11-19-5)18(4)16(12-17)10-8-7-9-15(16)13(2)3/h13-15H,6-12,17H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 286.53 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 112658500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).