[3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine

C14H21NS — CID 90874481

IUPAC[3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine
SMILESNC=C1C=C(SCC2CCCCC2)C=CC1
InChIInChI=1S/C14H21NS/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h4,8-10,12H,1-3,5-7,11,15H2
InChIKeyFVINCUMNORJPFF-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.99
Rot. Bonds3

About [3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine

[3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine (PubChem CID 90874481) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is [3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine.

Molecular Properties

Compound Name[3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine
PubChem CID90874481
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name[3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine
SMILESNC=C1C=C(SCC2CCCCC2)C=CC1
InChIInChI=1S/C14H21NS/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h4,8-10,12H,1-3,5-7,11,15H2
InChIKeyFVINCUMNORJPFF-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(Cyclohexylmethylsulfanyl)cyclohexa-1,3-dien-1-yl]prop-2-yn-1-amine
CID 91142787
2-(4-Hexan-3-ylcyclohexa-2,4-dien-1-yl)sulfanylethanamine
CID 134316613
(3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine
CID 142196107
(Z)-2-[1-[(1S)-2-bicyclo[4.2.0]octa-2,4-dienyl]ethenylsulfanyl]ethenamine
CID 166963365
3-cyclohexyl-N-ethyl-2-prop-2-enylthiophen-1-ium-1-amine
CID 177731281

Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine?
The IUPAC name of [3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine (CID 90874481) is [3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine.
What is the SMILES notation for [3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine?
The canonical SMILES for [3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine is NC=C1C=C(SCC2CCCCC2)C=CC1.
What is the InChIKey of [3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine?
The InChIKey is FVINCUMNORJPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h4,8-10,12H,1-3,5-7,11,15H2.
What are the key properties of [3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine?
[3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine has a molecular weight of 235.40 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethylsulfanyl)cyclohexa-2,4-dien-1-ylidene]methanamine is sourced from PubChem (CID 90874481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).