2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine

C15H23NS — CID 123786326

IUPAC2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine
SMILESCC1=CCC=C(C2=CCCC(CCN)CC2)S1
InChIInChI=1S/C15H23NS/c1-12-4-2-7-15(17-12)14-6-3-5-13(8-9-14)10-11-16/h4,6-7,13H,2-3,5,8-11,16H2,1H3
InChIKeyGNVXFOMAPSVKSR-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.38
Rot. Bonds3

About 2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine

2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine (PubChem CID 123786326) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine
PubChem CID123786326
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine
SMILESCC1=CCC=C(C2=CCCC(CCN)CC2)S1
InChIInChI=1S/C15H23NS/c1-12-4-2-7-15(17-12)14-6-3-5-13(8-9-14)10-11-16/h4,6-7,13H,2-3,5,8-11,16H2,1H3
InChIKeyGNVXFOMAPSVKSR-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S,13Z)-7-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)sulfanyl-2-ethyl-13-methyl-5,8-dimethylidenehexadeca-13,15-dien-1-amine
CID 89263014
3-(5-Butylsulfanylcyclohexa-1,5-dien-1-yl)butan-1-amine
CID 91333753
1-amino-3-[3-[(2R)-2-methylbutyl]cyclohexa-1,3-dien-1-yl]propane-2-thione
CID 122468739
[2-Methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
CID 123720456
(3-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]thiopyran-10-yl)methanamine
CID 129016113
[2-Methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
CID 129016208
3-butyl-4-methylidene-8-[(3E)-2-methylpenta-1,3-dien-3-yl]sulfanylnon-8-en-1-amine
CID 130458750
2-(4-Hexan-3-ylcyclohexa-2,4-dien-1-yl)sulfanylethanamine
CID 134316613
(E,4R)-6-[(Z)-1-but-1-en-2-ylsulfanylprop-1-enyl]-4-methylnon-6-en-2-amine
CID 138528345
5-[2-[(E)-2-ethylhex-2-enyl]sulfanylcyclohexa-2,4-dien-1-yl]-4-methylpentan-1-amine
CID 142160705
(3-methyl-5,6,7,8-tetrahydro-2H-thiochromen-5-yl)methanamine
CID 142196107
[2-methyl-3-[(Z)-3-methylpent-2-en-2-yl]sulfanylcyclohex-2-en-1-yl]methanamine
CID 173733308

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine?
The IUPAC name of 2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine (CID 123786326) is 2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine?
The canonical SMILES for 2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine is CC1=CCC=C(C2=CCCC(CCN)CC2)S1.
What is the InChIKey of 2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine?
The InChIKey is GNVXFOMAPSVKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12-4-2-7-15(17-12)14-6-3-5-13(8-9-14)10-11-16/h4,6-7,13H,2-3,5,8-11,16H2,1H3.
What are the key properties of 2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine?
2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine has a molecular weight of 249.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine is sourced from PubChem (CID 123786326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).