N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine

C14H29NS — CID 64632799

IUPACN-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine
SMILESCCCC(CSC1CCCC(C)C1)NCC
InChIInChI=1S/C14H29NS/c1-4-7-13(15-5-2)11-16-14-9-6-8-12(3)10-14/h12-15H,4-11H2,1-3H3
InChIKeyZTMNKGPZKYDMCR-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.08
Rot. Bonds7

About N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine

N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine (PubChem CID 64632799) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine
PubChem CID64632799
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC NameN-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine
SMILESCCCC(CSC1CCCC(C)C1)NCC
InChIInChI=1S/C14H29NS/c1-4-7-13(15-5-2)11-16-14-9-6-8-12(3)10-14/h12-15H,4-11H2,1-3H3
InChIKeyZTMNKGPZKYDMCR-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

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Related Compounds

N-ethyl-2-(3-methylcyclohexyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755637
1-cyclopentylsulfanyl-N-ethylbutan-2-amine
CID 64628616
3-(3-methylcyclohexyl)sulfanylpropane-1,2-diol
CID 79683415
N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64633385
2-amino-3-(3-methylcyclohexyl)sulfanylpropanenitrile
CID 62722458
4-(3-methylcyclohexyl)sulfanyl-2-(propylamino)butanamide
CID 63035288
4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine
CID 64704078
1-[2-(bromomethyl)-3,3-dimethylbutyl]sulfanyl-3-methylcyclohexane
CID 65016282
N-ethyl-1-(3-methylpiperidin-1-yl)pentan-2-amine
CID 62041614
1-(3,3-diethoxypropylsulfanyl)-3-methylcyclohexane
CID 63629815
4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62723006
1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine
CID 79185206

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine?
The IUPAC name of N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine (CID 64632799) is N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine is CCCC(CSC1CCCC(C)C1)NCC.
What is the InChIKey of N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine?
The InChIKey is ZTMNKGPZKYDMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-4-7-13(15-5-2)11-16-14-9-6-8-12(3)10-14/h12-15H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine?
N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-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 N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine is sourced from PubChem (CID 64632799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).