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

C13H26N2O — CID 107006694

IUPAC2-(hept-6-enylamino)-N-propylpropanamide
SMILESC=CCCCCCNC(C)C(=O)NCCC
InChIInChI=1S/C13H26N2O/c1-4-6-7-8-9-11-14-12(3)13(16)15-10-5-2/h4,12,14H,1,5-11H2,2-3H3,(H,15,16)
InChIKeyHHUAIRRTJLNPEN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.24
Rot. Bonds10

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

2-(hept-6-enylamino)-N-propylpropanamide (PubChem CID 107006694) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(hept-6-enylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(hept-6-enylamino)-N-propylpropanamide
PubChem CID107006694
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(hept-6-enylamino)-N-propylpropanamide
SMILESC=CCCCCCNC(C)C(=O)NCCC
InChIInChI=1S/C13H26N2O/c1-4-6-7-8-9-11-14-12(3)13(16)15-10-5-2/h4,12,14H,1,5-11H2,2-3H3,(H,15,16)
InChIKeyHHUAIRRTJLNPEN-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.24
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-propylpropanamide?
The IUPAC name of 2-(hept-6-enylamino)-N-propylpropanamide (CID 107006694) is 2-(hept-6-enylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(hept-6-enylamino)-N-propylpropanamide?
The canonical SMILES for 2-(hept-6-enylamino)-N-propylpropanamide is C=CCCCCCNC(C)C(=O)NCCC.
What is the InChIKey of 2-(hept-6-enylamino)-N-propylpropanamide?
The InChIKey is HHUAIRRTJLNPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-7-8-9-11-14-12(3)13(16)15-10-5-2/h4,12,14H,1,5-11H2,2-3H3,(H,15,16).
What are the key properties of 2-(hept-6-enylamino)-N-propylpropanamide?
2-(hept-6-enylamino)-N-propylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 2.24, 10 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-propylpropanamide is sourced from PubChem (CID 107006694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).