N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine

C11H19N — CID 142020306

IUPACN-(4-methylhexa-1,5-dien-3-yl)butan-2-imine
SMILESC=CC(C)C(C=C)/N=C(\C)CC
InChIInChI=1S/C11H19N/c1-6-9(4)11(8-3)12-10(5)7-2/h6,8-9,11H,1,3,7H2,2,4-5H3/b12-10+
InChIKeyOWNANHGNGJSRKX-ZRDIBKRKSA-N
MW165.28 g/mol
LogP3.23
Rot. Bonds5

About N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine

N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine (PubChem CID 142020306) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine.

Molecular Properties

Compound NameN-(4-methylhexa-1,5-dien-3-yl)butan-2-imine
PubChem CID142020306
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(4-methylhexa-1,5-dien-3-yl)butan-2-imine
SMILESC=CC(C)C(C=C)/N=C(\C)CC
InChIInChI=1S/C11H19N/c1-6-9(4)11(8-3)12-10(5)7-2/h6,8-9,11H,1,3,7H2,2,4-5H3/b12-10+
InChIKeyOWNANHGNGJSRKX-ZRDIBKRKSA-N
XLogP3.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-methylhexa-1,5-dien-3-yl)butan-2-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

Allyl-(2-methyl-pent-4-enylidene)-amine
CID 13443029
N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine
CID 89227476
N-(3-methylpent-4-en-2-yl)ethanimine
CID 89603941
N-[(E)-4-methylpent-1-enyl]butan-2-imine
CID 90063487
2-methyl-5-propan-2-yl-2H-pyrrole
CID 90912583
3-methyl-N-(4-methylhex-3-en-2-yl)butan-2-imine
CID 123213513
N-but-3-en-2-yl-3-methylbutan-2-imine
CID 123225179
(Z)-N-ethyl-2-methylhex-4-en-3-imine
CID 123427000
3-ethyl-4-methyl-N-propan-2-ylhept-6-en-2-imine
CID 123513645
N-ethyl-3-methylhex-5-en-2-imine
CID 123547564
4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine
CID 123575717
3-N-but-3-en-2-yl-2-N-methylbutane-2,3-diimine
CID 123748386

Frequently Asked Questions

What is the IUPAC name of N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine?
The IUPAC name of N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine (CID 142020306) is N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine.
What is the SMILES notation for N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine?
The canonical SMILES for N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine is C=CC(C)C(C=C)/N=C(\C)CC.
What is the InChIKey of N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine?
The InChIKey is OWNANHGNGJSRKX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19N/c1-6-9(4)11(8-3)12-10(5)7-2/h6,8-9,11H,1,3,7H2,2,4-5H3/b12-10+.
What are the key properties of N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine?
N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhexa-1,5-dien-3-yl)butan-2-imine is sourced from PubChem (CID 142020306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).