4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine

C14H29NS — CID 62723006

IUPAC4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine
SMILESCC1CCCC(SCCCCNC(C)C)C1
InChIInChI=1S/C14H29NS/c1-12(2)15-9-4-5-10-16-14-8-6-7-13(3)11-14/h12-15H,4-11H2,1-3H3
InChIKeyWCFMPTFVYGLYGM-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.08
Rot. Bonds7

About 4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine

4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine (PubChem CID 62723006) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine
PubChem CID62723006
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine
SMILESCC1CCCC(SCCCCNC(C)C)C1
InChIInChI=1S/C14H29NS/c1-12(2)15-9-4-5-10-16-14-8-6-7-13(3)11-14/h12-15H,4-11H2,1-3H3
InChIKeyWCFMPTFVYGLYGM-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62720477
N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine
CID 55111698
5-(3-methylcyclohexyl)sulfanylpentan-1-amine
CID 62721729
N-[2-(3-methylcyclohexyl)sulfanylethyl]prop-2-en-1-amine
CID 62720497
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol
CID 64807359
2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide
CID 62720840
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexanoic acid
CID 63466029
4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide
CID 63035288
1-(3,3-diethoxypropylsulfanyl)-3-methylcyclohexane
CID 63629815
2-methyl-5-(3-methylcyclohexyl)sulfanyl-2-(propylamino)pentanenitrile
CID 55111275
2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid
CID 62720486
4-cyclopentylsulfanyl-N-methylbutan-1-amine
CID 63115700

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine (CID 62723006) is 4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine is CC1CCCC(SCCCCNC(C)C)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine?
The InChIKey is WCFMPTFVYGLYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-12(2)15-9-4-5-10-16-14-8-6-7-13(3)11-14/h12-15H,4-11H2,1-3H3.
What are the key properties of 4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine?
4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine has a molecular weight of 243.46 g/mol, XLogP of 4.08, 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-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62723006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).