N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine

C10H18N2O — CID 88867286

IUPACN-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine
SMILESC=CC(=C)NCCN1CCOCC1
InChIInChI=1S/C10H18N2O/c1-3-10(2)11-4-5-12-6-8-13-9-7-12/h3,11H,1-2,4-9H2
InChIKeyPINXMXVKXSBFKF-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine

N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine (PubChem CID 88867286) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine
PubChem CID88867286
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine
SMILESC=CC(=C)NCCN1CCOCC1
InChIInChI=1S/C10H18N2O/c1-3-10(2)11-4-5-12-6-8-13-9-7-12/h3,11H,1-2,4-9H2
InChIKeyPINXMXVKXSBFKF-UHFFFAOYSA-N
XLogP0.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-morpholin-4-ylethyl)buta-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-morpholin-4-ylethyl)buta-1,3-dien-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine (CID 88867286) is N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine is C=CC(=C)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine?
The InChIKey is PINXMXVKXSBFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-10(2)11-4-5-12-6-8-13-9-7-12/h3,11H,1-2,4-9H2.
What are the key properties of N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine?
N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine has a molecular weight of 182.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine is sourced from PubChem (CID 88867286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).