N-ethyl-2-(hept-6-enylamino)propanamide

C12H24N2O — CID 107006692

IUPACN-ethyl-2-(hept-6-enylamino)propanamide
SMILESC=CCCCCCNC(C)C(=O)NCC
InChIInChI=1S/C12H24N2O/c1-4-6-7-8-9-10-14-11(3)12(15)13-5-2/h4,11,14H,1,5-10H2,2-3H3,(H,13,15)
InChIKeyNJZJSRWHFDQUEH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.85
Rot. Bonds9

About N-ethyl-2-(hept-6-enylamino)propanamide

N-ethyl-2-(hept-6-enylamino)propanamide (PubChem CID 107006692) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-ethyl-2-(hept-6-enylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(hept-6-enylamino)propanamide
PubChem CID107006692
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-ethyl-2-(hept-6-enylamino)propanamide
SMILESC=CCCCCCNC(C)C(=O)NCC
InChIInChI=1S/C12H24N2O/c1-4-6-7-8-9-10-14-11(3)12(15)13-5-2/h4,11,14H,1,5-10H2,2-3H3,(H,13,15)
InChIKeyNJZJSRWHFDQUEH-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.85
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 N-ethyl-2-(hept-6-enylamino)propanamide?
The IUPAC name of N-ethyl-2-(hept-6-enylamino)propanamide (CID 107006692) is N-ethyl-2-(hept-6-enylamino)propanamide.
What is the SMILES notation for N-ethyl-2-(hept-6-enylamino)propanamide?
The canonical SMILES for N-ethyl-2-(hept-6-enylamino)propanamide is C=CCCCCCNC(C)C(=O)NCC.
What is the InChIKey of N-ethyl-2-(hept-6-enylamino)propanamide?
The InChIKey is NJZJSRWHFDQUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-6-7-8-9-10-14-11(3)12(15)13-5-2/h4,11,14H,1,5-10H2,2-3H3,(H,13,15).
What are the key properties of N-ethyl-2-(hept-6-enylamino)propanamide?
N-ethyl-2-(hept-6-enylamino)propanamide has a molecular weight of 212.34 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(hept-6-enylamino)propanamide is sourced from PubChem (CID 107006692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).