3-methyl-N-prop-2-enylhexanamide

C10H19NO — CID 118686883

IUPAC3-methyl-N-prop-2-enylhexanamide
SMILESC=CCNC(=O)CC(C)CCC
InChIInChI=1S/C10H19NO/c1-4-6-9(3)8-10(12)11-7-5-2/h5,9H,2,4,6-8H2,1,3H3,(H,11,12)
InChIKeyXWJNANPSMFJJLH-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.11
Rot. Bonds6

About 3-methyl-N-prop-2-enylhexanamide

3-methyl-N-prop-2-enylhexanamide (PubChem CID 118686883) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-N-prop-2-enylhexanamide.

Molecular Properties

Compound Name3-methyl-N-prop-2-enylhexanamide
PubChem CID118686883
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-N-prop-2-enylhexanamide
SMILESC=CCNC(=O)CC(C)CCC
InChIInChI=1S/C10H19NO/c1-4-6-9(3)8-10(12)11-7-5-2/h5,9H,2,4,6-8H2,1,3H3,(H,11,12)
InChIKeyXWJNANPSMFJJLH-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.11
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-methyl-N-prop-2-enylhexanamide?
The IUPAC name of 3-methyl-N-prop-2-enylhexanamide (CID 118686883) is 3-methyl-N-prop-2-enylhexanamide.
What is the SMILES notation for 3-methyl-N-prop-2-enylhexanamide?
The canonical SMILES for 3-methyl-N-prop-2-enylhexanamide is C=CCNC(=O)CC(C)CCC.
What is the InChIKey of 3-methyl-N-prop-2-enylhexanamide?
The InChIKey is XWJNANPSMFJJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-9(3)8-10(12)11-7-5-2/h5,9H,2,4,6-8H2,1,3H3,(H,11,12).
What are the key properties of 3-methyl-N-prop-2-enylhexanamide?
3-methyl-N-prop-2-enylhexanamide has a molecular weight of 169.27 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-prop-2-enylhexanamide is sourced from PubChem (CID 118686883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).