(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine

C11H21N — CID 134895402

IUPAC(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
SMILESC/N=C/C=C/C(C(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-9(2)11(10(3)4)7-6-8-12-5/h6-11H,1-5H3/b7-6+,12-8+
InChIKeyPHRJVKLCYVAOII-ZYUHXDNHSA-N
MW167.30 g/mol
LogP3.17
Rot. Bonds4

About (E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine

(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine (PubChem CID 134895402) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine.

Molecular Properties

Compound Name(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
PubChem CID134895402
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
SMILESC/N=C/C=C/C(C(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-9(2)11(10(3)4)7-6-8-12-5/h6-11H,1-5H3/b7-6+,12-8+
InChIKeyPHRJVKLCYVAOII-ZYUHXDNHSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N,5-dimethyl-4-propan-2-ylhex-2-en-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

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
CID 129037792
3-Methyl-12-(3-penten-2-yl)-1-aza-1,5,9-cyclododecatriene
CID 54073519
2,3-Di(propan-2-yl)-2,3-dihydropyridine
CID 59427901
(Z)-3-cyclopentyl-N-methylprop-2-en-1-imine
CID 59910597
(Z)-3-(2,4-dimethylcyclobutyl)-N,2-dimethylprop-2-en-1-imine
CID 68249452
3,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 68344127
2,4-diethyl-3-methyl-3,4-dihydro-2H-azepine
CID 68391441
3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine
CID 69923477
(4E,8E)-11-methyl-2-pent-3-en-2-yl-1-azacyclododeca-4,8,12-triene
CID 70505819
2-(3-Methylbutan-2-yl)-1-azacyclododeca-4,8,12-triene
CID 70531114
(5E,9E)-3-butyl-1-azacyclododeca-1,5,9-triene
CID 70595591

Frequently Asked Questions

What is the IUPAC name of (E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine?
The IUPAC name of (E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine (CID 134895402) is (E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine.
What is the SMILES notation for (E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine?
The canonical SMILES for (E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine is C/N=C/C=C/C(C(C)C)C(C)C.
What is the InChIKey of (E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine?
The InChIKey is PHRJVKLCYVAOII-ZYUHXDNHSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)11(10(3)4)7-6-8-12-5/h6-11H,1-5H3/b7-6+,12-8+.
What are the key properties of (E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine?
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine is sourced from PubChem (CID 134895402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).