6-amino-N-(1,2-dihydroxypropyl)decanamide

C13H28N2O3 — CID 88632900

IUPAC6-amino-N-(1,2-dihydroxypropyl)decanamide
SMILESCCCCC(N)CCCCC(=O)NC(O)C(C)O
InChIInChI=1S/C13H28N2O3/c1-3-4-7-11(14)8-5-6-9-12(17)15-13(18)10(2)16/h10-11,13,16,18H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyVJNFUYYLDVLDLP-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.88
Rot. Bonds10

About 6-amino-N-(1,2-dihydroxypropyl)decanamide

6-amino-N-(1,2-dihydroxypropyl)decanamide (PubChem CID 88632900) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-amino-N-(1,2-dihydroxypropyl)decanamide.

Molecular Properties

Compound Name6-amino-N-(1,2-dihydroxypropyl)decanamide
PubChem CID88632900
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name6-amino-N-(1,2-dihydroxypropyl)decanamide
SMILESCCCCC(N)CCCCC(=O)NC(O)C(C)O
InChIInChI=1S/C13H28N2O3/c1-3-4-7-11(14)8-5-6-9-12(17)15-13(18)10(2)16/h10-11,13,16,18H,3-9,14H2,1-2H3,(H,15,17)
InChIKeyVJNFUYYLDVLDLP-UHFFFAOYSA-N
XLogP0.88
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 87600664
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CID 3484810
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CID 73242205
7-aminoundecanoic acid
CID 87457372
N-pentan-2-ylundecanamide
CID 173258559
N-(6-aminohexan-2-yl)octanamide
CID 123172105
N-(1-hydroxybutyl)decanamide
CID 87762139
N-(4-aminobutan-2-yl)octanamide
CID 62087208
N-[(2R)-1-hydroxy-3-methyloctadecan-2-yl]hexadecanamide
CID 90449017
3-hydroxy-2-(icosanoylamino)butanoic acid
CID 18762052
3-hydroxy-2-(octadecanoylamino)butanoic acid
CID 5033246
N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
CID 65449719

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1,2-dihydroxypropyl)decanamide?
The IUPAC name of 6-amino-N-(1,2-dihydroxypropyl)decanamide (CID 88632900) is 6-amino-N-(1,2-dihydroxypropyl)decanamide.
What is the SMILES notation for 6-amino-N-(1,2-dihydroxypropyl)decanamide?
The canonical SMILES for 6-amino-N-(1,2-dihydroxypropyl)decanamide is CCCCC(N)CCCCC(=O)NC(O)C(C)O.
What is the InChIKey of 6-amino-N-(1,2-dihydroxypropyl)decanamide?
The InChIKey is VJNFUYYLDVLDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-3-4-7-11(14)8-5-6-9-12(17)15-13(18)10(2)16/h10-11,13,16,18H,3-9,14H2,1-2H3,(H,15,17).
What are the key properties of 6-amino-N-(1,2-dihydroxypropyl)decanamide?
6-amino-N-(1,2-dihydroxypropyl)decanamide has a molecular weight of 260.38 g/mol, XLogP of 0.88, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1,2-dihydroxypropyl)decanamide is sourced from PubChem (CID 88632900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).