N-[(Z,2S)-hept-4-en-2-yl]methanimine

C8H15N — CID 144536562

IUPACN-[(Z,2S)-hept-4-en-2-yl]methanimine
SMILESC=N[C@@H](C)C/C=C\CC
InChIInChI=1S/C8H15N/c1-4-5-6-7-8(2)9-3/h5-6,8H,3-4,7H2,1-2H3/b6-5-/t8-/m0/s1
InChIKeyLMVVCQMLDLJKDU-SLGIHZDVSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds4

About N-[(Z,2S)-hept-4-en-2-yl]methanimine

N-[(Z,2S)-hept-4-en-2-yl]methanimine (PubChem CID 144536562) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-[(Z,2S)-hept-4-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z,2S)-hept-4-en-2-yl]methanimine
PubChem CID144536562
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-[(Z,2S)-hept-4-en-2-yl]methanimine
SMILESC=N[C@@H](C)C/C=C\CC
InChIInChI=1S/C8H15N/c1-4-5-6-7-8(2)9-3/h5-6,8H,3-4,7H2,1-2H3/b6-5-/t8-/m0/s1
InChIKeyLMVVCQMLDLJKDU-SLGIHZDVSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
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-[(Z,2S)-hept-4-en-2-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z,2S)-hept-4-en-2-yl]methanimine?
The IUPAC name of N-[(Z,2S)-hept-4-en-2-yl]methanimine (CID 144536562) is N-[(Z,2S)-hept-4-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z,2S)-hept-4-en-2-yl]methanimine?
The canonical SMILES for N-[(Z,2S)-hept-4-en-2-yl]methanimine is C=N[C@@H](C)C/C=C\CC.
What is the InChIKey of N-[(Z,2S)-hept-4-en-2-yl]methanimine?
The InChIKey is LMVVCQMLDLJKDU-SLGIHZDVSA-N. The full InChI is InChI=1S/C8H15N/c1-4-5-6-7-8(2)9-3/h5-6,8H,3-4,7H2,1-2H3/b6-5-/t8-/m0/s1.
What are the key properties of N-[(Z,2S)-hept-4-en-2-yl]methanimine?
N-[(Z,2S)-hept-4-en-2-yl]methanimine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2S)-hept-4-en-2-yl]methanimine is sourced from PubChem (CID 144536562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).