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

C13H25NS — CID 115712400

IUPACN-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCC1CCCC1
InChIInChI=1S/C13H25NS/c1-15-13-9-5-4-8-12(13)14-10-11-6-2-3-7-11/h11-14H,2-10H2,1H3
InChIKeyYUVDQXLEOIAJDI-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds4

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

N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine (PubChem CID 115712400) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
PubChem CID115712400
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCC1CCCC1
InChIInChI=1S/C13H25NS/c1-15-13-9-5-4-8-12(13)14-10-11-6-2-3-7-11/h11-14H,2-10H2,1H3
InChIKeyYUVDQXLEOIAJDI-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456
N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103883980
N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine
CID 103779067
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
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
N-[2-(3-methylbutoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103779518
N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine
CID 146209039
2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 115714483

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine (CID 115712400) is N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is YUVDQXLEOIAJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-15-13-9-5-4-8-12(13)14-10-11-6-2-3-7-11/h11-14H,2-10H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine?
N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 115712400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).