2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide

C9H18N2O — CID 18325554

IUPAC2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCNC(C)C
InChIInChI=1S/C9H18N2O/c1-7(2)9(12)11-6-5-10-8(3)4/h8,10H,1,5-6H2,2-4H3,(H,11,12)
InChIKeyYSALIZGISXWLMY-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.68
Rot. Bonds5

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

2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide (PubChem CID 18325554) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide
PubChem CID18325554
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCNC(C)C
InChIInChI=1S/C9H18N2O/c1-7(2)9(12)11-6-5-10-8(3)4/h8,10H,1,5-6H2,2-4H3,(H,11,12)
InChIKeyYSALIZGISXWLMY-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide (CID 18325554) is 2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide is C=C(C)C(=O)NCCNC(C)C.
What is the InChIKey of 2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide?
The InChIKey is YSALIZGISXWLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)9(12)11-6-5-10-8(3)4/h8,10H,1,5-6H2,2-4H3,(H,11,12).
What are the key properties of 2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide?
2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(propan-2-ylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 18325554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).