2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid

C16H25NO2 — CID 106488438

IUPAC2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid
SMILESCC(C)C(CN)(CCCCc1ccccc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-13(2)16(12-17,15(18)19)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12,17H2,1-2H3,(H,18,19)
InChIKeyGWSGYHSAAKDYEH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds8

About 2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid

2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid (PubChem CID 106488438) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid
PubChem CID106488438
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid
SMILESCC(C)C(CN)(CCCCc1ccccc1)C(=O)O
InChIInChI=1S/C16H25NO2/c1-13(2)16(12-17,15(18)19)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12,17H2,1-2H3,(H,18,19)
InChIKeyGWSGYHSAAKDYEH-UHFFFAOYSA-N
XLogP3.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic 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-(aminomethyl)-3-methyl-2-(2-phenylethyl)butanoic acid
CID 106488584
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
2,2-difluoro-14-phenyltetradecanoic acid
CID 67700090
2,2-dihydroxy-22-phenyldocosanoic acid
CID 54471325
2,2-difluoro-18-phenyloctadecanoic acid
CID 67701072
2-tert-butyl-2-(5-phenylpentyl)propanedioic acid
CID 139782915
ethyl 2-(aminomethyl)-2-benzyl-3-methylbutanoate
CID 106488665
ethyl 2-(aminomethyl)-2-ethyl-6-phenylhexanoate
CID 106487514
3-ethyl-2-methyl-6-phenylhexan-3-ol
CID 65146545
2-methyl-6-phenylhexan-2-ol
CID 12716611
2-methyl-7-phenylheptan-3-one
CID 13129845
3,3-dimethyl-15-phenylpentadecanoic acid
CID 2737130

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid?
The IUPAC name of 2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid (CID 106488438) is 2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid.
What is the SMILES notation for 2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid?
The canonical SMILES for 2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid is CC(C)C(CN)(CCCCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid?
The InChIKey is GWSGYHSAAKDYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)16(12-17,15(18)19)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid?
2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-phenyl-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 106488438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).