2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine

C13H19NO — CID 17206949

IUPAC2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESC1=C(CCNCc2ccco2)CCCC1
InChIInChI=1S/C13H19NO/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13/h4-5,7,10,14H,1-3,6,8-9,11H2
InChIKeyWFEIKPXCUOPYEW-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.26
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine

2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 17206949) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID17206949
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
SMILESC1=C(CCNCc2ccco2)CCCC1
InChIInChI=1S/C13H19NO/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13/h4-5,7,10,14H,1-3,6,8-9,11H2
InChIKeyWFEIKPXCUOPYEW-UHFFFAOYSA-N
XLogP3.26
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)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

N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide
CID 109014635
1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2210389
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146360
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885539
2-(cyclohexen-1-yl)-N-[(4,5-dibromofuran-2-yl)methyl]ethanamine
CID 55032546
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251021
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109299470
2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
CID 30056275
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082049
N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109275380

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine (CID 17206949) is 2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine is C1=C(CCNCc2ccco2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is WFEIKPXCUOPYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13/h4-5,7,10,14H,1-3,6,8-9,11H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 17206949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).