N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine

C9H17NO — CID 123377125

IUPACN-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine
SMILESC=CC(=C)N(C)CCOCC
InChIInChI=1S/C9H17NO/c1-5-9(3)10(4)7-8-11-6-2/h5H,1,3,6-8H2,2,4H3
InChIKeyPDSNMMGMJBRHLL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds6

About N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine

N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine (PubChem CID 123377125) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine
PubChem CID123377125
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine
SMILESC=CC(=C)N(C)CCOCC
InChIInChI=1S/C9H17NO/c1-5-9(3)10(4)7-8-11-6-2/h5H,1,3,6-8H2,2,4H3
InChIKeyPDSNMMGMJBRHLL-UHFFFAOYSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-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-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine (CID 123377125) is N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine is C=CC(=C)N(C)CCOCC.
What is the InChIKey of N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine?
The InChIKey is PDSNMMGMJBRHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-9(3)10(4)7-8-11-6-2/h5H,1,3,6-8H2,2,4H3.
What are the key properties of N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine?
N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine is sourced from PubChem (CID 123377125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).