2,4-diamino-N-dodecylbutanamide

C16H35N3O — CID 10779524

IUPAC2,4-diamino-N-dodecylbutanamide
SMILESCCCCCCCCCCCCNC(=O)C(N)CCN
InChIInChI=1S/C16H35N3O/c1-2-3-4-5-6-7-8-9-10-11-14-19-16(20)15(18)12-13-17/h15H,2-14,17-18H2,1H3,(H,19,20)
InChIKeyMWVJJIKRNDFWNE-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.70
Rot. Bonds14

About 2,4-diamino-N-dodecylbutanamide

2,4-diamino-N-dodecylbutanamide (PubChem CID 10779524) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2,4-diamino-N-dodecylbutanamide.

Molecular Properties

Compound Name2,4-diamino-N-dodecylbutanamide
PubChem CID10779524
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name2,4-diamino-N-dodecylbutanamide
SMILESCCCCCCCCCCCCNC(=O)C(N)CCN
InChIInChI=1S/C16H35N3O/c1-2-3-4-5-6-7-8-9-10-11-14-19-16(20)15(18)12-13-17/h15H,2-14,17-18H2,1H3,(H,19,20)
InChIKeyMWVJJIKRNDFWNE-UHFFFAOYSA-N
XLogP2.70
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.70
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 2,4-diamino-N-dodecylbutanamide?
The IUPAC name of 2,4-diamino-N-dodecylbutanamide (CID 10779524) is 2,4-diamino-N-dodecylbutanamide.
What is the SMILES notation for 2,4-diamino-N-dodecylbutanamide?
The canonical SMILES for 2,4-diamino-N-dodecylbutanamide is CCCCCCCCCCCCNC(=O)C(N)CCN.
What is the InChIKey of 2,4-diamino-N-dodecylbutanamide?
The InChIKey is MWVJJIKRNDFWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-2-3-4-5-6-7-8-9-10-11-14-19-16(20)15(18)12-13-17/h15H,2-14,17-18H2,1H3,(H,19,20).
What are the key properties of 2,4-diamino-N-dodecylbutanamide?
2,4-diamino-N-dodecylbutanamide has a molecular weight of 285.48 g/mol, XLogP of 2.70, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-dodecylbutanamide is sourced from PubChem (CID 10779524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).