2,3-diamino-N-dodecylpropanamide

C15H33N3O — CID 10492360

IUPAC2,3-diamino-N-dodecylpropanamide
SMILESCCCCCCCCCCCCNC(=O)C(N)CN
InChIInChI=1S/C15H33N3O/c1-2-3-4-5-6-7-8-9-10-11-12-18-15(19)14(17)13-16/h14H,2-13,16-17H2,1H3,(H,18,19)
InChIKeyIQDZZBWWEUBXEU-UHFFFAOYSA-N
MW271.45 g/mol
LogP2.31
Rot. Bonds13

About 2,3-diamino-N-dodecylpropanamide

2,3-diamino-N-dodecylpropanamide (PubChem CID 10492360) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2,3-diamino-N-dodecylpropanamide.

Molecular Properties

Compound Name2,3-diamino-N-dodecylpropanamide
PubChem CID10492360
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2,3-diamino-N-dodecylpropanamide
SMILESCCCCCCCCCCCCNC(=O)C(N)CN
InChIInChI=1S/C15H33N3O/c1-2-3-4-5-6-7-8-9-10-11-12-18-15(19)14(17)13-16/h14H,2-13,16-17H2,1H3,(H,18,19)
InChIKeyIQDZZBWWEUBXEU-UHFFFAOYSA-N
XLogP2.31
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-N-dodecylpropanamide?
The IUPAC name of 2,3-diamino-N-dodecylpropanamide (CID 10492360) is 2,3-diamino-N-dodecylpropanamide.
What is the SMILES notation for 2,3-diamino-N-dodecylpropanamide?
The canonical SMILES for 2,3-diamino-N-dodecylpropanamide is CCCCCCCCCCCCNC(=O)C(N)CN.
What is the InChIKey of 2,3-diamino-N-dodecylpropanamide?
The InChIKey is IQDZZBWWEUBXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-2-3-4-5-6-7-8-9-10-11-12-18-15(19)14(17)13-16/h14H,2-13,16-17H2,1H3,(H,18,19).
What are the key properties of 2,3-diamino-N-dodecylpropanamide?
2,3-diamino-N-dodecylpropanamide has a molecular weight of 271.45 g/mol, XLogP of 2.31, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-N-dodecylpropanamide is sourced from PubChem (CID 10492360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).