2-(ethoxymethyl)buta-2,3-dien-1-amine

C7H13NO — CID 19894398

IUPAC2-(ethoxymethyl)buta-2,3-dien-1-amine
SMILESC=C=C(CN)COCC
InChIInChI=1S/C7H13NO/c1-3-7(5-8)6-9-4-2/h1,4-6,8H2,2H3
InChIKeyYCZHGIRBAJYHRP-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.69
Rot. Bonds4

About 2-(ethoxymethyl)buta-2,3-dien-1-amine

2-(ethoxymethyl)buta-2,3-dien-1-amine (PubChem CID 19894398) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(ethoxymethyl)buta-2,3-dien-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)buta-2,3-dien-1-amine
PubChem CID19894398
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(ethoxymethyl)buta-2,3-dien-1-amine
SMILESC=C=C(CN)COCC
InChIInChI=1S/C7H13NO/c1-3-7(5-8)6-9-4-2/h1,4-6,8H2,2H3
InChIKeyYCZHGIRBAJYHRP-UHFFFAOYSA-N
XLogP0.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(ethoxymethyl)buta-2,3-dien-1-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 2-(ethoxymethyl)buta-2,3-dien-1-amine?
The IUPAC name of 2-(ethoxymethyl)buta-2,3-dien-1-amine (CID 19894398) is 2-(ethoxymethyl)buta-2,3-dien-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)buta-2,3-dien-1-amine?
The canonical SMILES for 2-(ethoxymethyl)buta-2,3-dien-1-amine is C=C=C(CN)COCC.
What is the InChIKey of 2-(ethoxymethyl)buta-2,3-dien-1-amine?
The InChIKey is YCZHGIRBAJYHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-7(5-8)6-9-4-2/h1,4-6,8H2,2H3.
What are the key properties of 2-(ethoxymethyl)buta-2,3-dien-1-amine?
2-(ethoxymethyl)buta-2,3-dien-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)buta-2,3-dien-1-amine is sourced from PubChem (CID 19894398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).