N-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine

C15H31NS — CID 55196498

IUPACN-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine
SMILESCCCC(C)NCC(C)SC1CCCC(C)C1
InChIInChI=1S/C15H31NS/c1-5-7-13(3)16-11-14(4)17-15-9-6-8-12(2)10-15/h12-16H,5-11H2,1-4H3
InChIKeyGJTVMYFPQLILPF-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.47
Rot. Bonds7

About N-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine

N-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine (PubChem CID 55196498) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is N-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine
PubChem CID55196498
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC NameN-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine
SMILESCCCC(C)NCC(C)SC1CCCC(C)C1
InChIInChI=1S/C15H31NS/c1-5-7-13(3)16-11-14(4)17-15-9-6-8-12(2)10-15/h12-16H,5-11H2,1-4H3
InChIKeyGJTVMYFPQLILPF-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine?
The IUPAC name of N-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine (CID 55196498) is N-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine.
What is the SMILES notation for N-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine?
The canonical SMILES for N-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine is CCCC(C)NCC(C)SC1CCCC(C)C1.
What is the InChIKey of N-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine?
The InChIKey is GJTVMYFPQLILPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-5-7-13(3)16-11-14(4)17-15-9-6-8-12(2)10-15/h12-16H,5-11H2,1-4H3.
What are the key properties of N-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine?
N-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine has a molecular weight of 257.49 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylcyclohexyl)sulfanylpropyl]pentan-2-amine is sourced from PubChem (CID 55196498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).