2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide

C9H18N2O — CID 18325580

IUPAC2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCNCCC
InChIInChI=1S/C9H18N2O/c1-4-5-10-6-7-11-9(12)8(2)3/h10H,2,4-7H2,1,3H3,(H,11,12)
InChIKeyKQNKBXYDFJLQDX-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.68
Rot. Bonds6

About 2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide

2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide (PubChem CID 18325580) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide
PubChem CID18325580
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCNCCC
InChIInChI=1S/C9H18N2O/c1-4-5-10-6-7-11-9(12)8(2)3/h10H,2,4-7H2,1,3H3,(H,11,12)
InChIKeyKQNKBXYDFJLQDX-UHFFFAOYSA-N
XLogP0.68
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 ≤ 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

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N-Isopropylmethacrylamide
CID 83698
2-Propenamide, N-(3-aminopropyl)-2-methyl-, hydrochloride (1:1)
CID 10375005
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N-Allylmethacrylamide
CID 75139
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N,N'-(1,6-hexanediyl)bismethacrylamide
CID 85267
N-(2-aminoethyl)-2-methylprop-2-enamide hydrochloride
CID 22641179
N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide (CID 18325580) is 2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide is C=C(C)C(=O)NCCNCCC.
What is the InChIKey of 2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide?
The InChIKey is KQNKBXYDFJLQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-10-6-7-11-9(12)8(2)3/h10H,2,4-7H2,1,3H3,(H,11,12).
What are the key properties of 2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide?
2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 18325580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).