N-(3-amino-3-methylbutyl)prop-2-enamide

C8H16N2O — CID 18522820

IUPACN-(3-amino-3-methylbutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)(C)N
InChIInChI=1S/C8H16N2O/c1-4-7(11)10-6-5-8(2,3)9/h4H,1,5-6,9H2,2-3H3,(H,10,11)
InChIKeyZNHKZDUWDLXDIR-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.42
Rot. Bonds4

About N-(3-amino-3-methylbutyl)prop-2-enamide

N-(3-amino-3-methylbutyl)prop-2-enamide (PubChem CID 18522820) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(3-amino-3-methylbutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-amino-3-methylbutyl)prop-2-enamide
PubChem CID18522820
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(3-amino-3-methylbutyl)prop-2-enamide
SMILESC=CC(=O)NCCC(C)(C)N
InChIInChI=1S/C8H16N2O/c1-4-7(11)10-6-5-8(2,3)9/h4H,1,5-6,9H2,2-3H3,(H,10,11)
InChIKeyZNHKZDUWDLXDIR-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-methylbutyl)prop-2-enamide?
The IUPAC name of N-(3-amino-3-methylbutyl)prop-2-enamide (CID 18522820) is N-(3-amino-3-methylbutyl)prop-2-enamide.
What is the SMILES notation for N-(3-amino-3-methylbutyl)prop-2-enamide?
The canonical SMILES for N-(3-amino-3-methylbutyl)prop-2-enamide is C=CC(=O)NCCC(C)(C)N.
What is the InChIKey of N-(3-amino-3-methylbutyl)prop-2-enamide?
The InChIKey is ZNHKZDUWDLXDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-7(11)10-6-5-8(2,3)9/h4H,1,5-6,9H2,2-3H3,(H,10,11).
What are the key properties of N-(3-amino-3-methylbutyl)prop-2-enamide?
N-(3-amino-3-methylbutyl)prop-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-methylbutyl)prop-2-enamide is sourced from PubChem (CID 18522820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).