(Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine

C10H14N2 — CID 91556118

IUPAC(Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine
SMILESC=N/N=C(/CC)C1=CC=CCC1
InChIInChI=1S/C10H14N2/c1-3-10(12-11-2)9-7-5-4-6-8-9/h4-5,7H,2-3,6,8H2,1H3/b12-10-
InChIKeyCEVFXHSNVZJYPE-BENRWUELSA-N
MW162.24 g/mol
LogP2.73
Rot. Bonds3

About (Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine

(Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine (PubChem CID 91556118) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine.

Molecular Properties

Compound Name(Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine
PubChem CID91556118
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine
SMILESC=N/N=C(/CC)C1=CC=CCC1
InChIInChI=1S/C10H14N2/c1-3-10(12-11-2)9-7-5-4-6-8-9/h4-5,7H,2-3,6,8H2,1H3/b12-10-
InChIKeyCEVFXHSNVZJYPE-BENRWUELSA-N
XLogP2.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine 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

5-Diazo-1-(3-fluoroprop-2-enyl)cyclohexa-1,3-diene
CID 174437567
Diazobicyclo[5.4.0]undecen-7-ene
CID 129819766
[[6-(6-Diazonioimino-2-methylcyclohexa-2,4-dien-1-ylidene)-5-methylcyclohexa-2,4-dien-1-ylidene]hydrazinylidene]azanide
CID 12613657
5-diazo-1H-naphthalene
CID 19980090
5-Diazo-2-(6-diazocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 53975193
3-cyclohexa-1,5-dien-1-yl-5-methyl-4H-pyrazole
CID 58717057
4-methylidene-N-(methylideneamino)cyclohexa-2,5-dien-1-imine
CID 58814570
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
5-[2-(4-Iminocyclohexa-1,5-dien-1-yl)ethenyl]cyclohex-4-ene-1,3-diimine
CID 67436441
3-(5-Iminocyclohexa-1,3-dien-1-yl)cyclohexa-2,5-dien-1-imine
CID 70153753
(2-Prop-2-enylcyclohexa-2,4-dien-1-ylidene)hydrazine
CID 70522915
6-Diazo-1-methylcyclohexa-1,3-diene
CID 87062544

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine?
The IUPAC name of (Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine (CID 91556118) is (Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine.
What is the SMILES notation for (Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine?
The canonical SMILES for (Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine is C=N/N=C(/CC)C1=CC=CCC1.
What is the InChIKey of (Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine?
The InChIKey is CEVFXHSNVZJYPE-BENRWUELSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-10(12-11-2)9-7-5-4-6-8-9/h4-5,7H,2-3,6,8H2,1H3/b12-10-.
What are the key properties of (Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine?
(Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine has a molecular weight of 162.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine is sourced from PubChem (CID 91556118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).