N-ethylbut-1-en-2-amine

C6H13N — CID 18731820

IUPACN-ethylbut-1-en-2-amine
SMILESC=C(CC)NCC
InChIInChI=1S/C6H13N/c1-4-6(3)7-5-2/h7H,3-5H2,1-2H3
InChIKeyJJCAGGFDVVFRGM-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.52
Rot. Bonds3

About N-ethylbut-1-en-2-amine

N-ethylbut-1-en-2-amine (PubChem CID 18731820) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is N-ethylbut-1-en-2-amine.

Molecular Properties

Compound NameN-ethylbut-1-en-2-amine
PubChem CID18731820
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC NameN-ethylbut-1-en-2-amine
SMILESC=C(CC)NCC
InChIInChI=1S/C6H13N/c1-4-6(3)7-5-2/h7H,3-5H2,1-2H3
InChIKeyJJCAGGFDVVFRGM-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethylbut-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-ethylbut-1-en-2-amine?
The IUPAC name of N-ethylbut-1-en-2-amine (CID 18731820) is N-ethylbut-1-en-2-amine.
What is the SMILES notation for N-ethylbut-1-en-2-amine?
The canonical SMILES for N-ethylbut-1-en-2-amine is C=C(CC)NCC.
What is the InChIKey of N-ethylbut-1-en-2-amine?
The InChIKey is JJCAGGFDVVFRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-4-6(3)7-5-2/h7H,3-5H2,1-2H3.
What are the key properties of N-ethylbut-1-en-2-amine?
N-ethylbut-1-en-2-amine has a molecular weight of 99.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbut-1-en-2-amine is sourced from PubChem (CID 18731820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).