N-(4-aminobutyl)prop-2-enamide

C7H14N2O — CID 19429107

IUPACN-(4-aminobutyl)prop-2-enamide
SMILESC=CC(=O)NCCCCN
InChIInChI=1S/C7H14N2O/c1-2-7(10)9-6-4-3-5-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyPEJQXIRAKYXAMQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.03
Rot. Bonds5

About N-(4-aminobutyl)prop-2-enamide

N-(4-aminobutyl)prop-2-enamide (PubChem CID 19429107) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(4-aminobutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-aminobutyl)prop-2-enamide
PubChem CID19429107
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(4-aminobutyl)prop-2-enamide
SMILESC=CC(=O)NCCCCN
InChIInChI=1S/C7H14N2O/c1-2-7(10)9-6-4-3-5-8/h2H,1,3-6,8H2,(H,9,10)
InChIKeyPEJQXIRAKYXAMQ-UHFFFAOYSA-N
XLogP0.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)prop-2-enamide?
The IUPAC name of N-(4-aminobutyl)prop-2-enamide (CID 19429107) is N-(4-aminobutyl)prop-2-enamide.
What is the SMILES notation for N-(4-aminobutyl)prop-2-enamide?
The canonical SMILES for N-(4-aminobutyl)prop-2-enamide is C=CC(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)prop-2-enamide?
The InChIKey is PEJQXIRAKYXAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-7(10)9-6-4-3-5-8/h2H,1,3-6,8H2,(H,9,10).
What are the key properties of N-(4-aminobutyl)prop-2-enamide?
N-(4-aminobutyl)prop-2-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)prop-2-enamide is sourced from PubChem (CID 19429107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).