1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone

C13H19NO2 — CID 116584689

IUPAC1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone
SMILESNCC1CCCCC1C(=O)Cc1ccoc1
InChIInChI=1S/C13H19NO2/c14-8-11-3-1-2-4-12(11)13(15)7-10-5-6-16-9-10/h5-6,9,11-12H,1-4,7-8,14H2
InChIKeyDWKWDHDMJSJQEW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.16
Rot. Bonds4

About 1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone

1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone (PubChem CID 116584689) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone
PubChem CID116584689
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone
SMILESNCC1CCCCC1C(=O)Cc1ccoc1
InChIInChI=1S/C13H19NO2/c14-8-11-3-1-2-4-12(11)13(15)7-10-5-6-16-9-10/h5-6,9,11-12H,1-4,7-8,14H2
InChIKeyDWKWDHDMJSJQEW-UHFFFAOYSA-N
XLogP2.16
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone 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

1-(6-bicyclo[3.1.0]hexanyl)-2-(furan-3-yl)ethanone
CID 115795935
1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone
CID 116584506
1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
CID 116584483
1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone
CID 116584625
1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
CID 116584559
2-(furan-3-yl)-1-(oxolan-2-yl)ethanone
CID 83171959
1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone
CID 116584544
2-(furan-3-yl)-1-(thiolan-2-yl)ethanone
CID 83171419
1-cyclohexyl-3-(furan-3-yl)propan-2-one
CID 115795908
2-(furan-3-yl)-1-(5-methyloxolan-2-yl)ethanone
CID 115795921
2-(furan-3-yl)-1-(3-methylcyclopentyl)ethanone
CID 83171833
1-[2-(aminomethyl)cyclohexyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 116584681

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone (CID 116584689) is 1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone is NCC1CCCCC1C(=O)Cc1ccoc1.
What is the InChIKey of 1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone?
The InChIKey is DWKWDHDMJSJQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-8-11-3-1-2-4-12(11)13(15)7-10-5-6-16-9-10/h5-6,9,11-12H,1-4,7-8,14H2.
What are the key properties of 1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone?
1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone has a molecular weight of 221.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone is sourced from PubChem (CID 116584689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).