N-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide

C10H16N2O2 — CID 22610645

IUPACN-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCN)C(=O)C(=C)C
InChIInChI=1S/C10H16N2O2/c1-7(2)9(13)12(6-5-11)10(14)8(3)4/h1,3,5-6,11H2,2,4H3
InChIKeyWAHVRCPDZZELSM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.45
Rot. Bonds4

About N-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide

N-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide (PubChem CID 22610645) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
PubChem CID22610645
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCN)C(=O)C(=C)C
InChIInChI=1S/C10H16N2O2/c1-7(2)9(13)12(6-5-11)10(14)8(3)4/h1,3,5-6,11H2,2,4H3
InChIKeyWAHVRCPDZZELSM-UHFFFAOYSA-N
XLogP0.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The IUPAC name of N-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide (CID 22610645) is N-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The canonical SMILES for N-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide is C=C(C)C(=O)N(CCN)C(=O)C(=C)C.
What is the InChIKey of N-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The InChIKey is WAHVRCPDZZELSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)9(13)12(6-5-11)10(14)8(3)4/h1,3,5-6,11H2,2,4H3.
What are the key properties of N-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
N-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide has a molecular weight of 196.25 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide is sourced from PubChem (CID 22610645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).