2-propylpent-4-en-1-imine

C8H15N — CID 123447448

IUPAC2-propylpent-4-en-1-imine
SMILES[H]/N=C/C(CC=C)CCC
InChIInChI=1S/C8H15N/c1-3-5-8(7-9)6-4-2/h3,7-9H,1,4-6H2,2H3/b9-7+
InChIKeyBITCVLZCMBIUNH-VQHVLOKHSA-N
MW125.21 g/mol
LogP2.63
Rot. Bonds5

About 2-propylpent-4-en-1-imine

2-propylpent-4-en-1-imine (PubChem CID 123447448) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-propylpent-4-en-1-imine.

Molecular Properties

Compound Name2-propylpent-4-en-1-imine
PubChem CID123447448
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-propylpent-4-en-1-imine
SMILES[H]/N=C/C(CC=C)CCC
InChIInChI=1S/C8H15N/c1-3-5-8(7-9)6-4-2/h3,7-9H,1,4-6H2,2H3/b9-7+
InChIKeyBITCVLZCMBIUNH-VQHVLOKHSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-propylpent-4-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

1-(Cyclohex-3-en-1-yl)methanimine
CID 57306453
3-Propan-2-ylpent-4-en-1-imine
CID 58352436
2-Cyclohex-2-en-1-ylethanimine
CID 89097602
(2R)-2,4-dimethyl-3-methylideneheptan-1-imine
CID 89244769
(Z)-3-ethylhex-4-en-1-imine
CID 89750002
2-Methylhept-5-en-1-imine
CID 90716594
3-Methylpent-4-en-1-imine
CID 91081758
2-ethyl-N,3-dimethylhex-5-en-1-imine
CID 91337610
3-Ethylpent-4-en-1-imine
CID 91480606
5,6-Dimethylhept-6-en-1-imine
CID 91525775
(Z)-3-[(2S)-butan-2-yl]hex-4-en-1-imine
CID 118687334
(Z)-3-propan-2-ylhex-4-en-1-imine
CID 118687372

Frequently Asked Questions

What is the IUPAC name of 2-propylpent-4-en-1-imine?
The IUPAC name of 2-propylpent-4-en-1-imine (CID 123447448) is 2-propylpent-4-en-1-imine.
What is the SMILES notation for 2-propylpent-4-en-1-imine?
The canonical SMILES for 2-propylpent-4-en-1-imine is [H]/N=C/C(CC=C)CCC.
What is the InChIKey of 2-propylpent-4-en-1-imine?
The InChIKey is BITCVLZCMBIUNH-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-8(7-9)6-4-2/h3,7-9H,1,4-6H2,2H3/b9-7+.
What are the key properties of 2-propylpent-4-en-1-imine?
2-propylpent-4-en-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpent-4-en-1-imine is sourced from PubChem (CID 123447448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).