N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine

C14H27NS — CID 103775456

IUPACN-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCC1CCCCC1
InChIInChI=1S/C14H27NS/c1-16-14-10-6-5-9-13(14)15-11-12-7-3-2-4-8-12/h12-15H,2-11H2,1H3
InChIKeyQKSQHYXSWBOJRC-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.83
Rot. Bonds4

About N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine

N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine (PubChem CID 103775456) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
PubChem CID103775456
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCC1CCCCC1
InChIInChI=1S/C14H27NS/c1-16-14-10-6-5-9-13(14)15-11-12-7-3-2-4-8-12/h12-15H,2-11H2,1H3
InChIKeyQKSQHYXSWBOJRC-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400
N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103883980
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine
CID 103779067
N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine
CID 146209039
2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine
CID 102613972
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 114123275
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458
cis-(1S,2R)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 51614343
trans-(1S,2S)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 11615431

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine (CID 103775456) is N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is QKSQHYXSWBOJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-16-14-10-6-5-9-13(14)15-11-12-7-3-2-4-8-12/h12-15H,2-11H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine?
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 241.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103775456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).