2,3-dimethyldecan-2-amine;propanoic acid

C15H33NO2 — CID 173175223

IUPAC2,3-dimethyldecan-2-amine;propanoic acid
SMILESCCC(=O)O.CCCCCCCC(C)C(C)(C)N
InChIInChI=1S/C12H27N.C3H6O2/c1-5-6-7-8-9-10-11(2)12(3,4)13;1-2-3(4)5/h11H,5-10,13H2,1-4H3;2H2,1H3,(H,4,5)
InChIKeyFNKAKAHYHYUHOQ-UHFFFAOYSA-N
MW259.43 g/mol
LogP4.20
Rot. Bonds8

About 2,3-dimethyldecan-2-amine;propanoic acid

2,3-dimethyldecan-2-amine;propanoic acid (PubChem CID 173175223) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 2,3-dimethyldecan-2-amine;propanoic acid.

Molecular Properties

Compound Name2,3-dimethyldecan-2-amine;propanoic acid
PubChem CID173175223
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name2,3-dimethyldecan-2-amine;propanoic acid
SMILESCCC(=O)O.CCCCCCCC(C)C(C)(C)N
InChIInChI=1S/C12H27N.C3H6O2/c1-5-6-7-8-9-10-11(2)12(3,4)13;1-2-3(4)5/h11H,5-10,13H2,1-4H3;2H2,1H3,(H,4,5)
InChIKeyFNKAKAHYHYUHOQ-UHFFFAOYSA-N
XLogP4.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dimethyldecan-2-amine;propanoic 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

acetic acid;2,3-dimethylundecan-2-amine
CID 173175122
2,3-dimethylundecan-2-amine;pentanoic acid
CID 173175135
2,3-dimethylnonan-2-amine;hexanoic acid
CID 173175130
2,3-dimethylhexadecan-2-amine
CID 87479269
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
2,3-dimethylundecan-2-amine;sulfuric acid
CID 170436301
2,3-dimethylhexan-2-amine;hexanoic acid
CID 173175162
propanoic acid;tetradecan-2-amine
CID 173174901
2-amino-3-methylheptadecan-2-ol
CID 88695872
3-methylheptadecane-2,2-diamine
CID 141040528
2,3-dimethylbutan-2-amine;octanoic acid
CID 173175161
decane;propanoic acid
CID 158826686

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyldecan-2-amine;propanoic acid?
The IUPAC name of 2,3-dimethyldecan-2-amine;propanoic acid (CID 173175223) is 2,3-dimethyldecan-2-amine;propanoic acid.
What is the SMILES notation for 2,3-dimethyldecan-2-amine;propanoic acid?
The canonical SMILES for 2,3-dimethyldecan-2-amine;propanoic acid is CCC(=O)O.CCCCCCCC(C)C(C)(C)N.
What is the InChIKey of 2,3-dimethyldecan-2-amine;propanoic acid?
The InChIKey is FNKAKAHYHYUHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C3H6O2/c1-5-6-7-8-9-10-11(2)12(3,4)13;1-2-3(4)5/h11H,5-10,13H2,1-4H3;2H2,1H3,(H,4,5).
What are the key properties of 2,3-dimethyldecan-2-amine;propanoic acid?
2,3-dimethyldecan-2-amine;propanoic acid has a molecular weight of 259.43 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyldecan-2-amine;propanoic acid is sourced from PubChem (CID 173175223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).