10-aminodeca-3,6-dienoic acid

C10H17NO2 — CID 123700269

IUPAC10-aminodeca-3,6-dienoic acid
SMILESNCCCC=CCC=CCC(=O)O
InChIInChI=1S/C10H17NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1,3-4,6H,2,5,7-9,11H2,(H,12,13)
InChIKeyOMBTTYHIKUHFHC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.70
Rot. Bonds7

About 10-aminodeca-3,6-dienoic acid

10-aminodeca-3,6-dienoic acid (PubChem CID 123700269) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 10-aminodeca-3,6-dienoic acid.

Molecular Properties

Compound Name10-aminodeca-3,6-dienoic acid
PubChem CID123700269
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name10-aminodeca-3,6-dienoic acid
SMILESNCCCC=CCC=CCC(=O)O
InChIInChI=1S/C10H17NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1,3-4,6H,2,5,7-9,11H2,(H,12,13)
InChIKeyOMBTTYHIKUHFHC-UHFFFAOYSA-N
XLogP1.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.70
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'}

Analyze 10-aminodeca-3,6-dienoic acid 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

(E)-6-aminohex-3-enoic acid
CID 19017972
(3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid
CID 5312748
octadeca-3,6,9-trienedioic acid
CID 54105709
(3Z,6Z)-hexadeca-3,6-dienoic acid
CID 87941729
(3E,6E,14E)-icosa-3,6,14-trienoic acid
CID 166679745
(3E,11E,14E)-icosa-3,11,14-trienoic acid
CID 23220132
(E)-8-aminooct-4-enoic acid
CID 6365538
docosa-3,6,9,12,15,18-hexaenoic acid
CID 57358010
oct-3-enedioic acid
CID 162155605
(3E,6E,9E,12E,15E)-octadeca-3,6,9,12,15-pentaenoic acid
CID 5312510
icosa-3,11,17-trienoic acid
CID 162425893
(Z)-16-aminohexadec-9-enoic acid
CID 87215029

Frequently Asked Questions

What is the IUPAC name of 10-aminodeca-3,6-dienoic acid?
The IUPAC name of 10-aminodeca-3,6-dienoic acid (CID 123700269) is 10-aminodeca-3,6-dienoic acid.
What is the SMILES notation for 10-aminodeca-3,6-dienoic acid?
The canonical SMILES for 10-aminodeca-3,6-dienoic acid is NCCCC=CCC=CCC(=O)O.
What is the InChIKey of 10-aminodeca-3,6-dienoic acid?
The InChIKey is OMBTTYHIKUHFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1,3-4,6H,2,5,7-9,11H2,(H,12,13).
What are the key properties of 10-aminodeca-3,6-dienoic acid?
10-aminodeca-3,6-dienoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-aminodeca-3,6-dienoic acid is sourced from PubChem (CID 123700269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).