N-methyl-N-[3-(methylamino)propyl]prop-2-enamide

C8H16N2O — CID 22239202

IUPACN-methyl-N-[3-(methylamino)propyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCCNC
InChIInChI=1S/C8H16N2O/c1-4-8(11)10(3)7-5-6-9-2/h4,9H,1,5-7H2,2-3H3
InChIKeySKBDXLQZDCZONM-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.24
Rot. Bonds5

About N-methyl-N-[3-(methylamino)propyl]prop-2-enamide

N-methyl-N-[3-(methylamino)propyl]prop-2-enamide (PubChem CID 22239202) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-methyl-N-[3-(methylamino)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[3-(methylamino)propyl]prop-2-enamide
PubChem CID22239202
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-methyl-N-[3-(methylamino)propyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCCNC
InChIInChI=1S/C8H16N2O/c1-4-8(11)10(3)7-5-6-9-2/h4,9H,1,5-7H2,2-3H3
InChIKeySKBDXLQZDCZONM-UHFFFAOYSA-N
XLogP0.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(methylamino)propyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[3-(methylamino)propyl]prop-2-enamide (CID 22239202) is N-methyl-N-[3-(methylamino)propyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[3-(methylamino)propyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[3-(methylamino)propyl]prop-2-enamide is C=CC(=O)N(C)CCCNC.
What is the InChIKey of N-methyl-N-[3-(methylamino)propyl]prop-2-enamide?
The InChIKey is SKBDXLQZDCZONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-8(11)10(3)7-5-6-9-2/h4,9H,1,5-7H2,2-3H3.
What are the key properties of N-methyl-N-[3-(methylamino)propyl]prop-2-enamide?
N-methyl-N-[3-(methylamino)propyl]prop-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(methylamino)propyl]prop-2-enamide is sourced from PubChem (CID 22239202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).