2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine

C11H16N2 — CID 123178485

IUPAC2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine
SMILES[H]/N=C/CC1=C/CC/C=C(CC)/C=N\1
InChIInChI=1S/C11H16N2/c1-2-10-5-3-4-6-11(7-8-12)13-9-10/h5-6,8-9,12H,2-4,7H2,1H3/b10-5-,11-6-,12-8+,13-9-
InChIKeyANVMPTHJQYYROZ-KRSZEIPFSA-N
MW176.26 g/mol
LogP3.11
Rot. Bonds3

About 2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine

2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine (PubChem CID 123178485) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine.

Molecular Properties

Compound Name2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine
PubChem CID123178485
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine
SMILES[H]/N=C/CC1=C/CC/C=C(CC)/C=N\1
InChIInChI=1S/C11H16N2/c1-2-10-5-3-4-6-11(7-8-12)13-9-10/h5-6,8-9,12H,2-4,7H2,1H3/b10-5-,11-6-,12-8+,13-9-
InChIKeyANVMPTHJQYYROZ-KRSZEIPFSA-N
XLogP3.11
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine 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

(E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine
CID 137410374
(Z)-1-tert-butyliminopent-2-en-3-amine
CID 10986475
(2Z,6Z)-2,3-di(propan-2-yl)-1,5-diazocine
CID 58763006
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
(Z)-1-ethylimino-4-methylpent-2-en-3-amine
CID 89174968
(3Z)-3-[1-(ethylideneamino)ethylidene]pyridin-4-imine
CID 89712822
1-(5-methyl-3,4-dihydropyridin-6-yl)-N-prop-1-en-2-ylmethanimine
CID 89748394
3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine
CID 90786085
2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91277402
(Z)-1-[(7E)-3-methyl-4-azabicyclo[6.3.0]undeca-1,2,4,7,10-pentaen-7-yl]prop-1-en-2-amine
CID 117662519
(Z)-2-ethyl-N-[(E)-hex-2-en-2-yl]but-2-en-1-imine
CID 122651509
7-Ethyl-2-methyl-4,5-dihydroazocine
CID 123163878

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine?
The IUPAC name of 2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine (CID 123178485) is 2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine.
What is the SMILES notation for 2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine?
The canonical SMILES for 2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine is [H]/N=C/CC1=C/CC/C=C(CC)/C=N\1.
What is the InChIKey of 2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine?
The InChIKey is ANVMPTHJQYYROZ-KRSZEIPFSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-10-5-3-4-6-11(7-8-12)13-9-10/h5-6,8-9,12H,2-4,7H2,1H3/b10-5-,11-6-,12-8+,13-9-.
What are the key properties of 2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine?
2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine has a molecular weight of 176.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine is sourced from PubChem (CID 123178485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).