N-[5-(methylamino)pentyl]prop-2-enamide

C9H18N2O — CID 87067533

IUPACN-[5-(methylamino)pentyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCNC
InChIInChI=1S/C9H18N2O/c1-3-9(12)11-8-6-4-5-7-10-2/h3,10H,1,4-8H2,2H3,(H,11,12)
InChIKeyHSQWFUYROJHSDY-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.68
Rot. Bonds7

About N-[5-(methylamino)pentyl]prop-2-enamide

N-[5-(methylamino)pentyl]prop-2-enamide (PubChem CID 87067533) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[5-(methylamino)pentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(methylamino)pentyl]prop-2-enamide
PubChem CID87067533
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[5-(methylamino)pentyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCNC
InChIInChI=1S/C9H18N2O/c1-3-9(12)11-8-6-4-5-7-10-2/h3,10H,1,4-8H2,2H3,(H,11,12)
InChIKeyHSQWFUYROJHSDY-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.68
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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Related Compounds

(Acrylamidopropyl)trimethylammonium chloride
CID 170750
1,6-Hexamethylenebisacrylamide
CID 250559
n-Butyl-2-propenamide
CID 642908
N,N-Dimethylaminopropyl acrylamide
CID 77452
2-Propenamide, N-octyl-
CID 82370
N-Dodecylacrylamide
CID 73929
N-(n-Propyl) acrylamide
CID 114794
N,N-`Bisacrylamido-1,3-propan
CID 11636931
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
2-Propenamide, N-(1-methylundecyl)-
CID 114489
N-Tetradecylacrylamide
CID 3016236
N-cyclopentylprop-2-enamide
CID 23352986

Frequently Asked Questions

What is the IUPAC name of N-[5-(methylamino)pentyl]prop-2-enamide?
The IUPAC name of N-[5-(methylamino)pentyl]prop-2-enamide (CID 87067533) is N-[5-(methylamino)pentyl]prop-2-enamide.
What is the SMILES notation for N-[5-(methylamino)pentyl]prop-2-enamide?
The canonical SMILES for N-[5-(methylamino)pentyl]prop-2-enamide is C=CC(=O)NCCCCCNC.
What is the InChIKey of N-[5-(methylamino)pentyl]prop-2-enamide?
The InChIKey is HSQWFUYROJHSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-9(12)11-8-6-4-5-7-10-2/h3,10H,1,4-8H2,2H3,(H,11,12).
What are the key properties of N-[5-(methylamino)pentyl]prop-2-enamide?
N-[5-(methylamino)pentyl]prop-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methylamino)pentyl]prop-2-enamide is sourced from PubChem (CID 87067533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).