N-[1-(propylamino)pentyl]prop-2-enamide

C11H22N2O — CID 88635152

IUPACN-[1-(propylamino)pentyl]prop-2-enamide
SMILESC=CC(=O)NC(CCCC)NCCC
InChIInChI=1S/C11H22N2O/c1-4-7-8-10(12-9-5-2)13-11(14)6-3/h6,10,12H,3-5,7-9H2,1-2H3,(H,13,14)
InChIKeyWJWNRYJRUVUKAI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.80
Rot. Bonds8

About N-[1-(propylamino)pentyl]prop-2-enamide

N-[1-(propylamino)pentyl]prop-2-enamide (PubChem CID 88635152) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[1-(propylamino)pentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(propylamino)pentyl]prop-2-enamide
PubChem CID88635152
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[1-(propylamino)pentyl]prop-2-enamide
SMILESC=CC(=O)NC(CCCC)NCCC
InChIInChI=1S/C11H22N2O/c1-4-7-8-10(12-9-5-2)13-11(14)6-3/h6,10,12H,3-5,7-9H2,1-2H3,(H,13,14)
InChIKeyWJWNRYJRUVUKAI-UHFFFAOYSA-N
XLogP1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[1-(propylamino)pentyl]prop-2-enamide?
The IUPAC name of N-[1-(propylamino)pentyl]prop-2-enamide (CID 88635152) is N-[1-(propylamino)pentyl]prop-2-enamide.
What is the SMILES notation for N-[1-(propylamino)pentyl]prop-2-enamide?
The canonical SMILES for N-[1-(propylamino)pentyl]prop-2-enamide is C=CC(=O)NC(CCCC)NCCC.
What is the InChIKey of N-[1-(propylamino)pentyl]prop-2-enamide?
The InChIKey is WJWNRYJRUVUKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-7-8-10(12-9-5-2)13-11(14)6-3/h6,10,12H,3-5,7-9H2,1-2H3,(H,13,14).
What are the key properties of N-[1-(propylamino)pentyl]prop-2-enamide?
N-[1-(propylamino)pentyl]prop-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(propylamino)pentyl]prop-2-enamide is sourced from PubChem (CID 88635152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).