4,5-dimethylcyclohex-4-ene-1,2-diamine

C8H16N2 — CID 123456107

IUPAC4,5-dimethylcyclohex-4-ene-1,2-diamine
SMILESCC1=C(C)CC(N)C(N)C1
InChIInChI=1S/C8H16N2/c1-5-3-7(9)8(10)4-6(5)2/h7-8H,3-4,9-10H2,1-2H3
InChIKeyFTRGAAHGFQLDAP-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.77
Rot. Bonds

About 4,5-dimethylcyclohex-4-ene-1,2-diamine

4,5-dimethylcyclohex-4-ene-1,2-diamine (PubChem CID 123456107) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4,5-dimethylcyclohex-4-ene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethylcyclohex-4-ene-1,2-diamine
PubChem CID123456107
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4,5-dimethylcyclohex-4-ene-1,2-diamine
SMILESCC1=C(C)CC(N)C(N)C1
InChIInChI=1S/C8H16N2/c1-5-3-7(9)8(10)4-6(5)2/h7-8H,3-4,9-10H2,1-2H3
InChIKeyFTRGAAHGFQLDAP-UHFFFAOYSA-N
XLogP0.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.77
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

1-(Cyclohex-1-en-1-yl)propan-2-amine
CID 231262
1-(Cyclohex-1-en-1-yl)propan-2-amine hydrochloride
CID 137943137
2,3-Dimethylcyclohex-2-en-1-amine hydrochloride
CID 145867474
2,3-Dimethylcyclohex-2-en-1-amine
CID 55285105
1-(2-Methylcyclopenten-1-yl)heptan-3-amine
CID 11030710
(4S,5S)-2,7-dimethylocta-1,7-diene-4,5-diamine
CID 101798373
(4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine
CID 134964888
(1R,6R)-6-butyl-3,4-dimethylcyclohex-3-en-1-amine
CID 134978798
N,3,4-trimethylcyclohex-3-en-1-amine
CID 20433146
3,4-Dimethylcyclohex-3-en-1-amine
CID 20433150
1-(Cyclohexen-1-yl)ethane-1,2-diamine
CID 21939699
[2-(Aminomethyl)cyclohexen-1-yl]methanamine
CID 22286870

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylcyclohex-4-ene-1,2-diamine?
The IUPAC name of 4,5-dimethylcyclohex-4-ene-1,2-diamine (CID 123456107) is 4,5-dimethylcyclohex-4-ene-1,2-diamine.
What is the SMILES notation for 4,5-dimethylcyclohex-4-ene-1,2-diamine?
The canonical SMILES for 4,5-dimethylcyclohex-4-ene-1,2-diamine is CC1=C(C)CC(N)C(N)C1.
What is the InChIKey of 4,5-dimethylcyclohex-4-ene-1,2-diamine?
The InChIKey is FTRGAAHGFQLDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-3-7(9)8(10)4-6(5)2/h7-8H,3-4,9-10H2,1-2H3.
What are the key properties of 4,5-dimethylcyclohex-4-ene-1,2-diamine?
4,5-dimethylcyclohex-4-ene-1,2-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylcyclohex-4-ene-1,2-diamine is sourced from PubChem (CID 123456107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).