(Z)-5-methylhept-3-en-2-imine

C8H15N — CID 123214394

IUPAC(Z)-5-methylhept-3-en-2-imine
SMILES[H]/N=C(C)/C=C\C(C)CC
InChIInChI=1S/C8H15N/c1-4-7(2)5-6-8(3)9/h5-7,9H,4H2,1-3H3/b6-5-,9-8+
InChIKeyXJEJXPTVUOHLNJ-UEPDSTOUSA-N
MW125.21 g/mol
LogP2.63
Rot. Bonds3

About (Z)-5-methylhept-3-en-2-imine

(Z)-5-methylhept-3-en-2-imine (PubChem CID 123214394) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (Z)-5-methylhept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-5-methylhept-3-en-2-imine
PubChem CID123214394
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(Z)-5-methylhept-3-en-2-imine
SMILES[H]/N=C(C)/C=C\C(C)CC
InChIInChI=1S/C8H15N/c1-4-7(2)5-6-8(3)9/h5-7,9H,4H2,1-3H3/b6-5-,9-8+
InChIKeyXJEJXPTVUOHLNJ-UEPDSTOUSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-5-methylhept-3-en-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

1-Methyl-4-imino-2,5-cyclohexadiene
CID 12984282
1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
2-Fluoro-4,4-dimethylcyclohepta-2,6-dien-1-imine
CID 123673350
2-Fluoro-5-methylcyclohepta-2,6-dien-1-imine
CID 123756912
(Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane
CID 156717512
(Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine
CID 163963041
1-Ethyl-4-imino-2,5-cyclohexadiene
CID 129808996
1-Cyclopenta-2,4-dien-1-ylethanimine
CID 57004377
(E)-hex-4-en-3-imine
CID 60088695
4-(2-Methylidenebutyl)cyclohexa-2,5-dien-1-imine
CID 60131096

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methylhept-3-en-2-imine?
The IUPAC name of (Z)-5-methylhept-3-en-2-imine (CID 123214394) is (Z)-5-methylhept-3-en-2-imine.
What is the SMILES notation for (Z)-5-methylhept-3-en-2-imine?
The canonical SMILES for (Z)-5-methylhept-3-en-2-imine is [H]/N=C(C)/C=C\C(C)CC.
What is the InChIKey of (Z)-5-methylhept-3-en-2-imine?
The InChIKey is XJEJXPTVUOHLNJ-UEPDSTOUSA-N. The full InChI is InChI=1S/C8H15N/c1-4-7(2)5-6-8(3)9/h5-7,9H,4H2,1-3H3/b6-5-,9-8+.
What are the key properties of (Z)-5-methylhept-3-en-2-imine?
(Z)-5-methylhept-3-en-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methylhept-3-en-2-imine is sourced from PubChem (CID 123214394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).