N-ethyl-5-iminopent-1-en-2-amine

C7H14N2 — CID 146551391

IUPACN-ethyl-5-iminopent-1-en-2-amine
SMILES[H]/N=C/CCC(=C)NCC
InChIInChI=1S/C7H14N2/c1-3-9-7(2)5-4-6-8/h6,8-9H,2-5H2,1H3/b8-6+
InChIKeyAYHFKHYSBWBTRN-SOFGYWHQSA-N
MW126.20 g/mol
LogP1.54
Rot. Bonds5

About N-ethyl-5-iminopent-1-en-2-amine

N-ethyl-5-iminopent-1-en-2-amine (PubChem CID 146551391) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-ethyl-5-iminopent-1-en-2-amine.

Molecular Properties

Compound NameN-ethyl-5-iminopent-1-en-2-amine
PubChem CID146551391
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-ethyl-5-iminopent-1-en-2-amine
SMILES[H]/N=C/CCC(=C)NCC
InChIInChI=1S/C7H14N2/c1-3-9-7(2)5-4-6-8/h6,8-9H,2-5H2,1H3/b8-6+
InChIKeyAYHFKHYSBWBTRN-SOFGYWHQSA-N
XLogP1.54
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-5-iminopent-1-en-2-amine 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-ethyl-5-iminopent-1-en-2-amine?
The IUPAC name of N-ethyl-5-iminopent-1-en-2-amine (CID 146551391) is N-ethyl-5-iminopent-1-en-2-amine.
What is the SMILES notation for N-ethyl-5-iminopent-1-en-2-amine?
The canonical SMILES for N-ethyl-5-iminopent-1-en-2-amine is [H]/N=C/CCC(=C)NCC.
What is the InChIKey of N-ethyl-5-iminopent-1-en-2-amine?
The InChIKey is AYHFKHYSBWBTRN-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-9-7(2)5-4-6-8/h6,8-9H,2-5H2,1H3/b8-6+.
What are the key properties of N-ethyl-5-iminopent-1-en-2-amine?
N-ethyl-5-iminopent-1-en-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iminopent-1-en-2-amine is sourced from PubChem (CID 146551391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).