N-(2-amino-2-butylhexyl)prop-2-enamide

C13H26N2O — CID 89467052

IUPACN-(2-amino-2-butylhexyl)prop-2-enamide
SMILESC=CC(=O)NCC(N)(CCCC)CCCC
InChIInChI=1S/C13H26N2O/c1-4-7-9-13(14,10-8-5-2)11-15-12(16)6-3/h6H,3-5,7-11,14H2,1-2H3,(H,15,16)
InChIKeyQSGRFNURHDLMBH-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.37
Rot. Bonds9

About N-(2-amino-2-butylhexyl)prop-2-enamide

N-(2-amino-2-butylhexyl)prop-2-enamide (PubChem CID 89467052) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-amino-2-butylhexyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-amino-2-butylhexyl)prop-2-enamide
PubChem CID89467052
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-amino-2-butylhexyl)prop-2-enamide
SMILESC=CC(=O)NCC(N)(CCCC)CCCC
InChIInChI=1S/C13H26N2O/c1-4-7-9-13(14,10-8-5-2)11-15-12(16)6-3/h6H,3-5,7-11,14H2,1-2H3,(H,15,16)
InChIKeyQSGRFNURHDLMBH-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-amino-2-butylhexyl)prop-2-enamide 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-amino-2-butylhexyl)prop-2-enamide?
The IUPAC name of N-(2-amino-2-butylhexyl)prop-2-enamide (CID 89467052) is N-(2-amino-2-butylhexyl)prop-2-enamide.
What is the SMILES notation for N-(2-amino-2-butylhexyl)prop-2-enamide?
The canonical SMILES for N-(2-amino-2-butylhexyl)prop-2-enamide is C=CC(=O)NCC(N)(CCCC)CCCC.
What is the InChIKey of N-(2-amino-2-butylhexyl)prop-2-enamide?
The InChIKey is QSGRFNURHDLMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-7-9-13(14,10-8-5-2)11-15-12(16)6-3/h6H,3-5,7-11,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-2-butylhexyl)prop-2-enamide?
N-(2-amino-2-butylhexyl)prop-2-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-butylhexyl)prop-2-enamide is sourced from PubChem (CID 89467052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).