N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine

C14H27NS — CID 103883980

IUPACN-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCC1CCCC(C)C1
InChIInChI=1S/C14H27NS/c1-11-5-3-6-12(9-11)10-15-13-7-4-8-14(13)16-2/h11-15H,3-10H2,1-2H3
InChIKeyZZZALSDGLGECKC-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.69
Rot. Bonds4

About N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine

N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 103883980) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID103883980
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCCC1NCC1CCCC(C)C1
InChIInChI=1S/C14H27NS/c1-11-5-3-6-12(9-11)10-15-13-7-4-8-14(13)16-2/h11-15H,3-10H2,1-2H3
InChIKeyZZZALSDGLGECKC-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456
2-methoxy-N-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 103883979
N-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115881259
2-[(3-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107412781
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
N-[(3-methylcyclohexyl)methyl]thian-4-amine
CID 115592505
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 114123275
3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine
CID 104589902
N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine
CID 124574787
tert-butyl N-[[2-[(3-methylcyclohexyl)methylamino]cyclopentyl]methyl]carbamate
CID 107251461
3,3-dimethyl-N-[(3-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 114544246

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine (CID 103883980) is N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine is CSC1CCCC1NCC1CCCC(C)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is ZZZALSDGLGECKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-11-5-3-6-12(9-11)10-15-13-7-4-8-14(13)16-2/h11-15H,3-10H2,1-2H3.
What are the key properties of N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine?
N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 241.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)methyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103883980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).