2-(hept-6-enylamino)-N-methylpropanamide

C11H22N2O — CID 107006676

IUPAC2-(hept-6-enylamino)-N-methylpropanamide
SMILESC=CCCCCCNC(C)C(=O)NC
InChIInChI=1S/C11H22N2O/c1-4-5-6-7-8-9-13-10(2)11(14)12-3/h4,10,13H,1,5-9H2,2-3H3,(H,12,14)
InChIKeyJZBQUDKTOSYZQM-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.46
Rot. Bonds8

About 2-(hept-6-enylamino)-N-methylpropanamide

2-(hept-6-enylamino)-N-methylpropanamide (PubChem CID 107006676) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(hept-6-enylamino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(hept-6-enylamino)-N-methylpropanamide
PubChem CID107006676
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(hept-6-enylamino)-N-methylpropanamide
SMILESC=CCCCCCNC(C)C(=O)NC
InChIInChI=1S/C11H22N2O/c1-4-5-6-7-8-9-13-10(2)11(14)12-3/h4,10,13H,1,5-9H2,2-3H3,(H,12,14)
InChIKeyJZBQUDKTOSYZQM-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(hept-6-enylamino)-N-methylpropanamide?
The IUPAC name of 2-(hept-6-enylamino)-N-methylpropanamide (CID 107006676) is 2-(hept-6-enylamino)-N-methylpropanamide.
What is the SMILES notation for 2-(hept-6-enylamino)-N-methylpropanamide?
The canonical SMILES for 2-(hept-6-enylamino)-N-methylpropanamide is C=CCCCCCNC(C)C(=O)NC.
What is the InChIKey of 2-(hept-6-enylamino)-N-methylpropanamide?
The InChIKey is JZBQUDKTOSYZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-6-7-8-9-13-10(2)11(14)12-3/h4,10,13H,1,5-9H2,2-3H3,(H,12,14).
What are the key properties of 2-(hept-6-enylamino)-N-methylpropanamide?
2-(hept-6-enylamino)-N-methylpropanamide has a molecular weight of 198.31 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hept-6-enylamino)-N-methylpropanamide is sourced from PubChem (CID 107006676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).