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

C14H27NS — CID 115881259

IUPACN-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NCC2CCCC(C)C2)C1
InChIInChI=1S/C14H27NS/c1-11-4-3-5-12(8-11)10-15-13-6-7-14(9-13)16-2/h11-15H,3-10H2,1-2H3
InChIKeyNTHYQEYOEGTSBT-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.69
Rot. Bonds4

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

N-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine (PubChem CID 115881259) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine
PubChem CID115881259
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NCC2CCCC(C)C2)C1
InChIInChI=1S/C14H27NS/c1-11-4-3-5-12(8-11)10-15-13-6-7-14(9-13)16-2/h11-15H,3-10H2,1-2H3
InChIKeyNTHYQEYOEGTSBT-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine (CID 115881259) is N-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine is CSC1CCC(NCC2CCCC(C)C2)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is NTHYQEYOEGTSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-11-4-3-5-12(8-11)10-15-13-6-7-14(9-13)16-2/h11-15H,3-10H2,1-2H3.
What are the key properties of N-[(3-methylcyclohexyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
N-[(3-methylcyclohexyl)methyl]-3-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]-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 115881259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).