3,4,4-trimethyl-N-prop-2-enylpentanamide

C11H21NO — CID 63820669

IUPAC3,4,4-trimethyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-7-12-10(13)8-9(2)11(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyKIOJBJBDADVFHY-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.36
Rot. Bonds4

About 3,4,4-trimethyl-N-prop-2-enylpentanamide

3,4,4-trimethyl-N-prop-2-enylpentanamide (PubChem CID 63820669) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name3,4,4-trimethyl-N-prop-2-enylpentanamide
PubChem CID63820669
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3,4,4-trimethyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-7-12-10(13)8-9(2)11(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13)
InChIKeyKIOJBJBDADVFHY-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-prop-2-enylpentanamide?
The IUPAC name of 3,4,4-trimethyl-N-prop-2-enylpentanamide (CID 63820669) is 3,4,4-trimethyl-N-prop-2-enylpentanamide.
What is the SMILES notation for 3,4,4-trimethyl-N-prop-2-enylpentanamide?
The canonical SMILES for 3,4,4-trimethyl-N-prop-2-enylpentanamide is C=CCNC(=O)CC(C)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-N-prop-2-enylpentanamide?
The InChIKey is KIOJBJBDADVFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-7-12-10(13)8-9(2)11(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,12,13).
What are the key properties of 3,4,4-trimethyl-N-prop-2-enylpentanamide?
3,4,4-trimethyl-N-prop-2-enylpentanamide has a molecular weight of 183.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-prop-2-enylpentanamide is sourced from PubChem (CID 63820669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).