1-cyclopentylsulfanyl-N-methyloctan-2-amine

C14H29NS — CID 65138560

IUPAC1-cyclopentylsulfanyl-N-methyloctan-2-amine
SMILESCCCCCCC(CSC1CCCC1)NC
InChIInChI=1S/C14H29NS/c1-3-4-5-6-9-13(15-2)12-16-14-10-7-8-11-14/h13-15H,3-12H2,1-2H3
InChIKeyIWHVORKKWBGYSD-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.22
Rot. Bonds9

About 1-cyclopentylsulfanyl-N-methyloctan-2-amine

1-cyclopentylsulfanyl-N-methyloctan-2-amine (PubChem CID 65138560) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-N-methyloctan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-N-methyloctan-2-amine
PubChem CID65138560
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name1-cyclopentylsulfanyl-N-methyloctan-2-amine
SMILESCCCCCCC(CSC1CCCC1)NC
InChIInChI=1S/C14H29NS/c1-3-4-5-6-9-13(15-2)12-16-14-10-7-8-11-14/h13-15H,3-12H2,1-2H3
InChIKeyIWHVORKKWBGYSD-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.22
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

1-cyclohexylsulfanyl-N-methyloctan-2-amine
CID 65139910
1-cyclohexylsulfanylundecan-2-amine
CID 65139901
1-cyclohexylsulfanylnonan-2-amine
CID 65139649
1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
CID 65140058
1-cyclohexylsulfanyl-N-methyl-3-propoxypropan-2-amine
CID 79575231
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine
CID 65139959
N-methylheptadecan-9-amine;hydrochloride
CID 175813537
1-tert-butylsulfanyl-N-methylnonan-2-amine
CID 65132720
N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine
CID 65135629
1-cyclopropyl-N-methyltetradecan-3-amine
CID 104995022

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-N-methyloctan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-N-methyloctan-2-amine (CID 65138560) is 1-cyclopentylsulfanyl-N-methyloctan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-N-methyloctan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-N-methyloctan-2-amine is CCCCCCC(CSC1CCCC1)NC.
What is the InChIKey of 1-cyclopentylsulfanyl-N-methyloctan-2-amine?
The InChIKey is IWHVORKKWBGYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-3-4-5-6-9-13(15-2)12-16-14-10-7-8-11-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-cyclopentylsulfanyl-N-methyloctan-2-amine?
1-cyclopentylsulfanyl-N-methyloctan-2-amine has a molecular weight of 243.46 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-N-methyloctan-2-amine is sourced from PubChem (CID 65138560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).