N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine

C13H26N2 — CID 28615418

IUPACN-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC[C@H]1CC=CCC1
InChIInChI=1S/C13H26N2/c1-3-15(4-2)11-10-14-12-13-8-6-5-7-9-13/h5-6,13-14H,3-4,7-12H2,1-2H3/t13-/m0/s1
InChIKeyIZXVBBFLYJWRIA-ZDUSSCGKSA-N
MW210.36 g/mol
LogP2.27
Rot. Bonds7

About N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine

N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 28615418) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine
PubChem CID28615418
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC[C@H]1CC=CCC1
InChIInChI=1S/C13H26N2/c1-3-15(4-2)11-10-14-12-13-8-6-5-7-9-13/h5-6,13-14H,3-4,7-12H2,1-2H3/t13-/m0/s1
InChIKeyIZXVBBFLYJWRIA-ZDUSSCGKSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.27
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 N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-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

1-(Cyclohex-3-en-1-ylmethyl)piperazine
CID 3150600
{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
Cambridge id 5425829
CID 2845835
Piperazine, 1-(3-cyclohexen-1-ylmethyl)-4-ethyl-(9CI)
CID 2845926
Cambridge id 5427223
CID 2845934
Cambridge id 5427294
CID 2845938
Cambridge id 5431361
CID 2846179
1-(aminomethyl)-N-ethyl-4-fluoro-N-methylcyclohex-3-en-1-amine
CID 117626993
1-(aminomethyl)-4-fluoro-N-propylcyclohex-3-en-1-amine
CID 117626994
3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine
CID 143703356
N-[3-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]propyl]pentan-1-amine
CID 167200118

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine (CID 28615418) is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC[C@H]1CC=CCC1.
What is the InChIKey of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is IZXVBBFLYJWRIA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-15(4-2)11-10-14-12-13-8-6-5-7-9-13/h5-6,13-14H,3-4,7-12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine?
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 28615418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).