1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine

C15H22N2O2 — CID 79458936

IUPAC1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine
SMILESCC(NC1CCCC(N)C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O2/c1-10(17-13-4-2-3-12(16)8-13)11-5-6-14-15(7-11)19-9-18-14/h5-7,10,12-13,17H,2-4,8-9,16H2,1H3
InChIKeyQMJJIOSWYYPPLW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.34
Rot. Bonds3

About 1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine

1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine (PubChem CID 79458936) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine
PubChem CID79458936
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine
SMILESCC(NC1CCCC(N)C1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O2/c1-10(17-13-4-2-3-12(16)8-13)11-5-6-14-15(7-11)19-9-18-14/h5-7,10,12-13,17H,2-4,8-9,16H2,1H3
InChIKeyQMJJIOSWYYPPLW-UHFFFAOYSA-N
XLogP2.34
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine 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-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
3-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119699854
1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
CID 43298420
1-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459154
1-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1,3-diamine
CID 79459404
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine
CID 61171729
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 43689424
1-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]piperidin-1-yl]ethanone
CID 43434024
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 64734545
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]oxan-4-amine
CID 43609831
3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119688683

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine (CID 79458936) is 1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine is CC(NC1CCCC(N)C1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine?
The InChIKey is QMJJIOSWYYPPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(17-13-4-2-3-12(16)8-13)11-5-6-14-15(7-11)19-9-18-14/h5-7,10,12-13,17H,2-4,8-9,16H2,1H3.
What are the key properties of 1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine?
1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine has a molecular weight of 262.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79458936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).