1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine

C14H28N2S — CID 103859823

IUPAC1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine
SMILESCSC1CCCCC1NC1CCCN(C)CC1
InChIInChI=1S/C14H28N2S/c1-16-10-5-6-12(9-11-16)15-13-7-3-4-8-14(13)17-2/h12-15H,3-11H2,1-2H3
InChIKeyPYLJVGSEWPVIQW-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.73
Rot. Bonds3

About 1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine

1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine (PubChem CID 103859823) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine
PubChem CID103859823
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine
SMILESCSC1CCCCC1NC1CCCN(C)CC1
InChIInChI=1S/C14H28N2S/c1-16-10-5-6-12(9-11-16)15-13-7-3-4-8-14(13)17-2/h12-15H,3-11H2,1-2H3
InChIKeyPYLJVGSEWPVIQW-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(2-methylsulfanylcyclohexyl)piperidin-4-amine
CID 113259889
1-methyl-N-(2-methylcyclopentyl)azepan-4-amine
CID 65075133
N-cyclopropyl-1-methylazepan-4-amine
CID 65071330
N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine
CID 114122303
N-cyclobutyl-2-methylsulfanylcyclobutan-1-amine
CID 130622334
N-cyclopentyl-1-methylpiperidin-4-amine;dihydrochloride
CID 53408550
N-(2-methylsulfanylcyclohexyl)oxepan-4-amine
CID 103894919
1-(2-methylpropyl)-N-[(1S,2R)-2-methylsulfanylcyclopentyl]piperidin-4-amine
CID 97323051
N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine
CID 127015746
[2-[(1-methylazepan-4-yl)amino]cyclopentyl]methanol
CID 103859826
4-ethyl-N-(2-methylsulfanylcyclopentyl)cyclohexan-1-amine
CID 103786599
2-[4-[[(1S,2S)-2-methylsulfanylcyclohexyl]amino]piperidin-1-yl]-N-propylacetamide
CID 97230043

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine?
The IUPAC name of 1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine (CID 103859823) is 1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine.
What is the SMILES notation for 1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine?
The canonical SMILES for 1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine is CSC1CCCCC1NC1CCCN(C)CC1.
What is the InChIKey of 1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine?
The InChIKey is PYLJVGSEWPVIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-16-10-5-6-12(9-11-16)15-13-7-3-4-8-14(13)17-2/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine?
1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine has a molecular weight of 256.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylsulfanylcyclohexyl)azepan-4-amine is sourced from PubChem (CID 103859823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).