4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine

C15H31NS — CID 64704078

IUPAC4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)SC1CCCC(C)C1
InChIInChI=1S/C15H31NS/c1-5-9-16-13(3)11-14(4)17-15-8-6-7-12(2)10-15/h12-16H,5-11H2,1-4H3
InChIKeyBDNYRXKPKDCPGY-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.47
Rot. Bonds7

About 4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine

4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine (PubChem CID 64704078) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine
PubChem CID64704078
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)SC1CCCC(C)C1
InChIInChI=1S/C15H31NS/c1-5-9-16-13(3)11-14(4)17-15-8-6-7-12(2)10-15/h12-16H,5-11H2,1-4H3
InChIKeyBDNYRXKPKDCPGY-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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Related Compounds

4-(oxan-4-ylsulfanyl)-N-propylpentan-2-amine
CID 64704651
2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine
CID 55196497
methyl 3-(3-methylcyclohexyl)sulfanylbutanoate
CID 62722596
N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62722834
1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine
CID 64676231
N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine
CID 64632799
4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine
CID 64657617
4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide
CID 63035288
2-methyl-4-(3-methylcyclohexyl)sulfanyl-2-(propan-2-ylamino)pentanenitrile
CID 64711558
4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62723006
N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64633385
4-cyclopropyl-N-propylpentan-2-amine
CID 64721662

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine?
The IUPAC name of 4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine (CID 64704078) is 4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine.
What is the SMILES notation for 4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine?
The canonical SMILES for 4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine is CCCNC(C)CC(C)SC1CCCC(C)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine?
The InChIKey is BDNYRXKPKDCPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-5-9-16-13(3)11-14(4)17-15-8-6-7-12(2)10-15/h12-16H,5-11H2,1-4H3.
What are the key properties of 4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine?
4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-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 4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine is sourced from PubChem (CID 64704078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).