2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid

C13H27NO2 — CID 114990864

IUPAC2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid
SMILESCCCCCN(C)C(C)(CC(C)C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-6-7-8-9-14(5)13(4,12(15)16)10-11(2)3/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyYRPGKHBEMSBGAK-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.00
Rot. Bonds8

About 2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid

2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid (PubChem CID 114990864) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid
PubChem CID114990864
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid
SMILESCCCCCN(C)C(C)(CC(C)C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-6-7-8-9-14(5)13(4,12(15)16)10-11(2)3/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyYRPGKHBEMSBGAK-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic 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

2-[butyl(methyl)amino]-2-methylbutanoic acid
CID 114988987
2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
CID 114990867
2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid
CID 114998070
3-methoxy-2-methyl-2-[pentyl(propan-2-yl)amino]propanoic acid
CID 115002602
2-(dimethylamino)-2-methyltetradecanoic acid
CID 11565995
2-methyl-4-[methyl(pentyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43437642
2-amino-2-[methyl(pentyl)amino]-3-sulfanylpropanoic acid
CID 175305283
2,2-dimethyl-3-[pentyl(propan-2-yl)amino]propanoic acid
CID 62271230
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid
CID 64710483
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide
CID 64710154
(Z)-N,2,4,5,7-pentamethyl-N-propyloct-5-en-4-amine
CID 174381732
2-decyl-16-[decyl(methyl)amino]hexadecanoic acid
CID 87389190

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid (CID 114990864) is 2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid is CCCCCN(C)C(C)(CC(C)C)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid?
The InChIKey is YRPGKHBEMSBGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-7-8-9-14(5)13(4,12(15)16)10-11(2)3/h11H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid?
2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid has a molecular weight of 229.36 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid is sourced from PubChem (CID 114990864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).