3-(10-aminodecyl)pentane-2,4-dione

C15H29NO2 — CID 71337648

IUPAC3-(10-aminodecyl)pentane-2,4-dione
SMILESCC(=O)C(CCCCCCCCCCN)C(C)=O
InChIInChI=1S/C15H29NO2/c1-13(17)15(14(2)18)11-9-7-5-3-4-6-8-10-12-16/h15H,3-12,16H2,1-2H3
InChIKeyAIJGNGPXXOJOJO-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.25
Rot. Bonds12

About 3-(10-aminodecyl)pentane-2,4-dione

3-(10-aminodecyl)pentane-2,4-dione (PubChem CID 71337648) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-(10-aminodecyl)pentane-2,4-dione.

Molecular Properties

Compound Name3-(10-aminodecyl)pentane-2,4-dione
PubChem CID71337648
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-(10-aminodecyl)pentane-2,4-dione
SMILESCC(=O)C(CCCCCCCCCCN)C(C)=O
InChIInChI=1S/C15H29NO2/c1-13(17)15(14(2)18)11-9-7-5-3-4-6-8-10-12-16/h15H,3-12,16H2,1-2H3
InChIKeyAIJGNGPXXOJOJO-UHFFFAOYSA-N
XLogP3.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(10-aminodecyl)pentane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(11-aminoundecyl)propanedioic acid
CID 87187189
2-(7-aminoheptyl)propanedioic acid
CID 90276909
1,5-diamino-3-(11-aminoundecyl)pentane-2,4-dione
CID 175384994
9-amino-2-(2-methylprop-2-enoyl)nonanoic acid
CID 118576620
(3S)-7-amino-3-methylheptan-2-one;ethane
CID 145493099
3,7-diaminoheptan-2-one;dihydrochloride
CID 12769839
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
iron(3+);tris(3-pentylpentane-2,4-dione)
CID 159636722
8-amino-3-(diiodoamino)octan-2-one
CID 88698976
3,6-diacetyloctane-2,7-dione
CID 4712238
2,13-diaminotridecanoic acid
CID 141414897

Frequently Asked Questions

What is the IUPAC name of 3-(10-aminodecyl)pentane-2,4-dione?
The IUPAC name of 3-(10-aminodecyl)pentane-2,4-dione (CID 71337648) is 3-(10-aminodecyl)pentane-2,4-dione.
What is the SMILES notation for 3-(10-aminodecyl)pentane-2,4-dione?
The canonical SMILES for 3-(10-aminodecyl)pentane-2,4-dione is CC(=O)C(CCCCCCCCCCN)C(C)=O.
What is the InChIKey of 3-(10-aminodecyl)pentane-2,4-dione?
The InChIKey is AIJGNGPXXOJOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(17)15(14(2)18)11-9-7-5-3-4-6-8-10-12-16/h15H,3-12,16H2,1-2H3.
What are the key properties of 3-(10-aminodecyl)pentane-2,4-dione?
3-(10-aminodecyl)pentane-2,4-dione has a molecular weight of 255.40 g/mol, XLogP of 3.25, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-aminodecyl)pentane-2,4-dione is sourced from PubChem (CID 71337648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).