N-(2-aminoethyl)undec-10-enamide

C13H26N2O — CID 15061805

IUPACN-(2-aminoethyl)undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCN
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-7-8-9-10-13(16)15-12-11-14/h2H,1,3-12,14H2,(H,15,16)
InChIKeyWPYRCEMXBQCHAF-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.37
Rot. Bonds11

About N-(2-aminoethyl)undec-10-enamide

N-(2-aminoethyl)undec-10-enamide (PubChem CID 15061805) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-aminoethyl)undec-10-enamide.

Molecular Properties

Compound NameN-(2-aminoethyl)undec-10-enamide
PubChem CID15061805
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-aminoethyl)undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCN
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-7-8-9-10-13(16)15-12-11-14/h2H,1,3-12,14H2,(H,15,16)
InChIKeyWPYRCEMXBQCHAF-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.37
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-(2-aminoethyl)undec-10-enamide?
The IUPAC name of N-(2-aminoethyl)undec-10-enamide (CID 15061805) is N-(2-aminoethyl)undec-10-enamide.
What is the SMILES notation for N-(2-aminoethyl)undec-10-enamide?
The canonical SMILES for N-(2-aminoethyl)undec-10-enamide is C=CCCCCCCCCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)undec-10-enamide?
The InChIKey is WPYRCEMXBQCHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-4-5-6-7-8-9-10-13(16)15-12-11-14/h2H,1,3-12,14H2,(H,15,16).
What are the key properties of N-(2-aminoethyl)undec-10-enamide?
N-(2-aminoethyl)undec-10-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.37, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)undec-10-enamide is sourced from PubChem (CID 15061805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).