N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine

C9H18N2 — CID 123508191

IUPACN'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine
SMILESCC1C=CCCC1NCCN
InChIInChI=1S/C9H18N2/c1-8-4-2-3-5-9(8)11-7-6-10/h2,4,8-9,11H,3,5-7,10H2,1H3
InChIKeyZQTCRECIVSRVPH-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.89
Rot. Bonds3

About N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine

N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine (PubChem CID 123508191) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine
PubChem CID123508191
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine
SMILESCC1C=CCCC1NCCN
InChIInChI=1S/C9H18N2/c1-8-4-2-3-5-9(8)11-7-6-10/h2,4,8-9,11H,3,5-7,10H2,1H3
InChIKeyZQTCRECIVSRVPH-UHFFFAOYSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexene-1-methylamine, N-cyclopropyl-
CID 204181
1-(aminomethyl)-4-fluoro-N-propylcyclohex-3-en-1-amine
CID 117626994
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
CID 138655203
(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine
CID 163831978
2-fluoro-6-methyl-3-[(E)-prop-1-enyl]piperidine
CID 163853910
(2S)-1-N-[(4R)-4-fluorocyclohex-2-en-1-yl]-2-N-methylbutane-1,2-diamine
CID 170133644
(2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 10866958
(2S,6S)-6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 55302316
2-methyl-N-propyloct-5-en-3-amine
CID 170847792
N,2-dimethyloct-5-en-3-amine
CID 170847794
(1R,2S,5S)-N,2,5-trimethylcyclohex-3-en-1-amine
CID 55287545

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine (CID 123508191) is N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine is CC1C=CCCC1NCCN.
What is the InChIKey of N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine?
The InChIKey is ZQTCRECIVSRVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8-4-2-3-5-9(8)11-7-6-10/h2,4,8-9,11H,3,5-7,10H2,1H3.
What are the key properties of N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine?
N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 123508191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).