2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine

C9H17N3 — CID 144581906

IUPAC2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine
SMILESC/N=C1\C=C(NC)C(N)CC1C
InChIInChI=1S/C9H17N3/c1-6-4-7(10)9(12-3)5-8(6)11-2/h5-7,12H,4,10H2,1-3H3/b11-8+
InChIKeyUMHZOWQVOPPOEV-DHZHZOJOSA-N
MW167.26 g/mol
LogP0.53
Rot. Bonds1

About 2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine

2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine (PubChem CID 144581906) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine
PubChem CID144581906
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine
SMILESC/N=C1\C=C(NC)C(N)CC1C
InChIInChI=1S/C9H17N3/c1-6-4-7(10)9(12-3)5-8(6)11-2/h5-7,12H,4,10H2,1-3H3/b11-8+
InChIKeyUMHZOWQVOPPOEV-DHZHZOJOSA-N
XLogP0.53
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-N,5-dimethyl-4-methyliminocyclohex-2-ene-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

Cyclohex-1-ene, 1-ethylamino-3-ethylimino-5,5-dimethyl-
CID 130849495
3,5,7-trimethyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine
CID 129929861
5-(6-Methyl-3,4-dihydropyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine
CID 87160518
(2E)-2-(ethylideneamino)-N,5-dimethylnona-2,8-dien-4-amine
CID 89503467
2-(ethylideneamino)-4-N,5-dimethylcyclohept-2-ene-1,4-diamine
CID 89503485
N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine
CID 123781711
1-(2,3-Dimethyl-3,4-dihydropyridin-6-yl)ethanamine
CID 123873452
5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine
CID 129311820
N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
CID 143440305
ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
CID 143656319
(1R)-4-imino-5-methanidyl-N-methylcyclohex-2-en-1-amine
CID 143718907
(E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane
CID 144740227

Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine?
The IUPAC name of 2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine (CID 144581906) is 2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine.
What is the SMILES notation for 2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine?
The canonical SMILES for 2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine is C/N=C1\C=C(NC)C(N)CC1C.
What is the InChIKey of 2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine?
The InChIKey is UMHZOWQVOPPOEV-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H17N3/c1-6-4-7(10)9(12-3)5-8(6)11-2/h5-7,12H,4,10H2,1-3H3/b11-8+.
What are the key properties of 2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine?
2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine is sourced from PubChem (CID 144581906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).