N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine

C10H17N — CID 89227476

IUPACN-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\C/C=C\C)C(C)C
InChIInChI=1S/C10H17N/c1-5-7-8-11-10(6-2)9(3)4/h5-7,9H,2,8H2,1,3-4H3/b7-5-,11-10+
InChIKeyLJEXZQAEYOFNII-OLCNXZRBSA-N
MW151.25 g/mol
LogP2.85
Rot. Bonds4

About N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine

N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine (PubChem CID 89227476) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine
PubChem CID89227476
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\C/C=C\C)C(C)C
InChIInChI=1S/C10H17N/c1-5-7-8-11-10(6-2)9(3)4/h5-7,9H,2,8H2,1,3-4H3/b7-5-,11-10+
InChIKeyLJEXZQAEYOFNII-OLCNXZRBSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.85
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)-but-2-enyl]-4-methylpent-1-en-3-imine 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)-but-2-enyl]-4-methylpent-1-en-3-imine?
The IUPAC name of N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine (CID 89227476) is N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine.
What is the SMILES notation for N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine?
The canonical SMILES for N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine is C=C/C(=N\C/C=C\C)C(C)C.
What is the InChIKey of N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine?
The InChIKey is LJEXZQAEYOFNII-OLCNXZRBSA-N. The full InChI is InChI=1S/C10H17N/c1-5-7-8-11-10(6-2)9(3)4/h5-7,9H,2,8H2,1,3-4H3/b7-5-,11-10+.
What are the key properties of N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine?
N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine has a molecular weight of 151.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enyl]-4-methylpent-1-en-3-imine is sourced from PubChem (CID 89227476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).