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

C9H18N2O — CID 158803076

IUPACN-[1-(methylamino)pentyl]prop-2-enamide
SMILESC=CC(=O)NC(CCCC)NC
InChIInChI=1S/C9H18N2O/c1-4-6-7-8(10-3)11-9(12)5-2/h5,8,10H,2,4,6-7H2,1,3H3,(H,11,12)
InChIKeyITSRCXOSMXVAGV-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.02
Rot. Bonds6

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

N-[1-(methylamino)pentyl]prop-2-enamide (PubChem CID 158803076) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[1-(methylamino)pentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(methylamino)pentyl]prop-2-enamide
PubChem CID158803076
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[1-(methylamino)pentyl]prop-2-enamide
SMILESC=CC(=O)NC(CCCC)NC
InChIInChI=1S/C9H18N2O/c1-4-6-7-8(10-3)11-9(12)5-2/h5,8,10H,2,4,6-7H2,1,3H3,(H,11,12)
InChIKeyITSRCXOSMXVAGV-UHFFFAOYSA-N
XLogP1.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.02
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-(methylamino)pentyl]prop-2-enamide?
The IUPAC name of N-[1-(methylamino)pentyl]prop-2-enamide (CID 158803076) is N-[1-(methylamino)pentyl]prop-2-enamide.
What is the SMILES notation for N-[1-(methylamino)pentyl]prop-2-enamide?
The canonical SMILES for N-[1-(methylamino)pentyl]prop-2-enamide is C=CC(=O)NC(CCCC)NC.
What is the InChIKey of N-[1-(methylamino)pentyl]prop-2-enamide?
The InChIKey is ITSRCXOSMXVAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-6-7-8(10-3)11-9(12)5-2/h5,8,10H,2,4,6-7H2,1,3H3,(H,11,12).
What are the key properties of N-[1-(methylamino)pentyl]prop-2-enamide?
N-[1-(methylamino)pentyl]prop-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)pentyl]prop-2-enamide is sourced from PubChem (CID 158803076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).