4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine

C12H26N2O — CID 166148584

IUPAC4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine
SMILESC=C(N)COCCCCN(C)CCCC
InChIInChI=1S/C12H26N2O/c1-4-5-8-14(3)9-6-7-10-15-11-12(2)13/h2,4-11,13H2,1,3H3
InChIKeyPBMQRKUKYHAGAK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.99
Rot. Bonds10

About 4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine

4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine (PubChem CID 166148584) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine
PubChem CID166148584
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine
SMILESC=C(N)COCCCCN(C)CCCC
InChIInChI=1S/C12H26N2O/c1-4-5-8-14(3)9-6-7-10-15-11-12(2)13/h2,4-11,13H2,1,3H3
InChIKeyPBMQRKUKYHAGAK-UHFFFAOYSA-N
XLogP1.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-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 4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine?
The IUPAC name of 4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine (CID 166148584) is 4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine.
What is the SMILES notation for 4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine?
The canonical SMILES for 4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine is C=C(N)COCCCCN(C)CCCC.
What is the InChIKey of 4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine?
The InChIKey is PBMQRKUKYHAGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-5-8-14(3)9-6-7-10-15-11-12(2)13/h2,4-11,13H2,1,3H3.
What are the key properties of 4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine?
4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoprop-2-enoxy)-N-butyl-N-methylbutan-1-amine is sourced from PubChem (CID 166148584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).