1-cyclohexylsulfanylundecan-2-amine

C17H35NS — CID 65139901

IUPAC1-cyclohexylsulfanylundecan-2-amine
SMILESCCCCCCCCCC(N)CSC1CCCCC1
InChIInChI=1S/C17H35NS/c1-2-3-4-5-6-7-9-12-16(18)15-19-17-13-10-8-11-14-17/h16-17H,2-15,18H2,1H3
InChIKeyOIHRDSBXVHYTRM-UHFFFAOYSA-N
MW285.54 g/mol
LogP5.52
Rot. Bonds11

About 1-cyclohexylsulfanylundecan-2-amine

1-cyclohexylsulfanylundecan-2-amine (PubChem CID 65139901) has the molecular formula C17H35NS and a molecular weight of 285.54 g/mol. Its IUPAC name is 1-cyclohexylsulfanylundecan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanylundecan-2-amine
PubChem CID65139901
Molecular FormulaC17H35NS
Molecular Weight285.54 g/mol
Exact Mass285.25
IUPAC Name1-cyclohexylsulfanylundecan-2-amine
SMILESCCCCCCCCCC(N)CSC1CCCCC1
InChIInChI=1S/C17H35NS/c1-2-3-4-5-6-7-9-12-16(18)15-19-17-13-10-8-11-14-17/h16-17H,2-15,18H2,1H3
InChIKeyOIHRDSBXVHYTRM-UHFFFAOYSA-N
XLogP5.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.54
LogP ≤ 55.52
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-cyclohexylsulfanylnonan-2-amine
CID 65139649
1-cyclopentylsulfanylpentan-2-amine
CID 64628608
1-cyclohexylsulfanyldecan-3-amine
CID 142946145
1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine
CID 65138550
1-cyclohexylsulfanyl-N-methyloctan-2-amine
CID 65139910
1-cyclopentylsulfanyl-N-methyloctan-2-amine
CID 65138560
octadecylsulfanylcyclohexane
CID 19905552
nonylsulfanylcyclohexane
CID 14783593
octylsulfanylcycloheptane
CID 70441156
1-cyclohexylsulfanylhept-5-yn-2-amine
CID 104805920
1-cycloheptylheptan-2-amine
CID 115837607
hexylsulfanylcyclopentane
CID 534970

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanylundecan-2-amine?
The IUPAC name of 1-cyclohexylsulfanylundecan-2-amine (CID 65139901) is 1-cyclohexylsulfanylundecan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanylundecan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanylundecan-2-amine is CCCCCCCCCC(N)CSC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanylundecan-2-amine?
The InChIKey is OIHRDSBXVHYTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NS/c1-2-3-4-5-6-7-9-12-16(18)15-19-17-13-10-8-11-14-17/h16-17H,2-15,18H2,1H3.
What are the key properties of 1-cyclohexylsulfanylundecan-2-amine?
1-cyclohexylsulfanylundecan-2-amine has a molecular weight of 285.54 g/mol, XLogP of 5.52, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanylundecan-2-amine is sourced from PubChem (CID 65139901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).