1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine

C17H36N2S — CID 107429152

IUPAC1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine
SMILESCSCCC(C)N(C)C1(CN)CCCC(CC(C)C)C1
InChIInChI=1S/C17H36N2S/c1-14(2)11-16-7-6-9-17(12-16,13-18)19(4)15(3)8-10-20-5/h14-16H,6-13,18H2,1-5H3
InChIKeyFUQOZYSJWSFBJM-UHFFFAOYSA-N
MW300.56 g/mol
LogP3.99
Rot. Bonds8

About 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine

1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine (PubChem CID 107429152) has the molecular formula C17H36N2S and a molecular weight of 300.56 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine
PubChem CID107429152
Molecular FormulaC17H36N2S
Molecular Weight300.56 g/mol
Exact Mass300.26
IUPAC Name1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine
SMILESCSCCC(C)N(C)C1(CN)CCCC(CC(C)C)C1
InChIInChI=1S/C17H36N2S/c1-14(2)11-16-7-6-9-17(12-16,13-18)19(4)15(3)8-10-20-5/h14-16H,6-13,18H2,1-5H3
InChIKeyFUQOZYSJWSFBJM-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428982
1-(aminomethyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)-3-propan-2-ylcyclobutan-1-amine
CID 103563172
1-(aminomethyl)-N-ethyl-N,3-bis(2-methylpropyl)cyclohexan-1-amine
CID 107428924
1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429111
1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 112658082
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 107429103
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107428952
1-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylcyclopentan-1-amine
CID 64501372
1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429492
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 107428939
[7-(2-methylpropyl)spiro[2.5]octan-2-yl]methanamine
CID 107430357
1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine
CID 43568986

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine (CID 107429152) is 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine is CSCCC(C)N(C)C1(CN)CCCC(CC(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is FUQOZYSJWSFBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2S/c1-14(2)11-16-7-6-9-17(12-16,13-18)19(4)15(3)8-10-20-5/h14-16H,6-13,18H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine?
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 300.56 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 107429152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).