N-ethyl-5-(methylideneamino)pent-3-en-2-amine

C8H16N2 — CID 138511218

IUPACN-ethyl-5-(methylideneamino)pent-3-en-2-amine
SMILESC=NCC=CC(C)NCC
InChIInChI=1S/C8H16N2/c1-4-10-8(2)6-5-7-9-3/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyCGQZRRPJNUQOFA-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.24
Rot. Bonds5

About N-ethyl-5-(methylideneamino)pent-3-en-2-amine

N-ethyl-5-(methylideneamino)pent-3-en-2-amine (PubChem CID 138511218) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-ethyl-5-(methylideneamino)pent-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(methylideneamino)pent-3-en-2-amine
PubChem CID138511218
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-ethyl-5-(methylideneamino)pent-3-en-2-amine
SMILESC=NCC=CC(C)NCC
InChIInChI=1S/C8H16N2/c1-4-10-8(2)6-5-7-9-3/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyCGQZRRPJNUQOFA-UHFFFAOYSA-N
XLogP1.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-5-(methylideneamino)pent-3-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-(methylideneamino)pent-3-en-2-amine?
The IUPAC name of N-ethyl-5-(methylideneamino)pent-3-en-2-amine (CID 138511218) is N-ethyl-5-(methylideneamino)pent-3-en-2-amine.
What is the SMILES notation for N-ethyl-5-(methylideneamino)pent-3-en-2-amine?
The canonical SMILES for N-ethyl-5-(methylideneamino)pent-3-en-2-amine is C=NCC=CC(C)NCC.
What is the InChIKey of N-ethyl-5-(methylideneamino)pent-3-en-2-amine?
The InChIKey is CGQZRRPJNUQOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-10-8(2)6-5-7-9-3/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of N-ethyl-5-(methylideneamino)pent-3-en-2-amine?
N-ethyl-5-(methylideneamino)pent-3-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(methylideneamino)pent-3-en-2-amine is sourced from PubChem (CID 138511218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).