1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine

C14H23NS — CID 107267112

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
SMILESCSC1(CNCC2CC3C=CC2C3)CCC1
InChIInChI=1S/C14H23NS/c1-16-14(5-2-6-14)10-15-9-13-8-11-3-4-12(13)7-11/h3-4,11-13,15H,2,5-10H2,1H3
InChIKeyVYBWXYQMFZCSLO-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.07
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine (PubChem CID 107267112) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
PubChem CID107267112
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
SMILESCSC1(CNCC2CC3C=CC2C3)CCC1
InChIInChI=1S/C14H23NS/c1-16-14(5-2-6-14)10-15-9-13-8-11-3-4-12(13)7-11/h3-4,11-13,15H,2,5-10H2,1H3
InChIKeyVYBWXYQMFZCSLO-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine 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

{Bicyclo[2.2.1]hept-5-en-2-ylmethyl}(butyl)amine
CID 19753053
({Bicyclo[2.2.1]hept-5-en-2-yl}methyl)(propyl)amine
CID 14921525
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 103745190
2-bicyclo[2.2.1]hept-5-enylmethyl N-butylcarbamodithioate
CID 20649859
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine
CID 43225176
({Bicyclo[2.2.1]hept-5-en-2-yl}methyl)(2-methylpropyl)amine
CID 43225180
(2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine
CID 59084829
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;molecular hydrogen
CID 156748858
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen
CID 156748963
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine
CID 15854280
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine
CID 15854281
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine
CID 21355590

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine (CID 107267112) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine is CSC1(CNCC2CC3C=CC2C3)CCC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The InChIKey is VYBWXYQMFZCSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-16-14(5-2-6-14)10-15-9-13-8-11-3-4-12(13)7-11/h3-4,11-13,15H,2,5-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine has a molecular weight of 237.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 107267112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).