4-[N-(2-methylpentyl)anilino]butanoic acid

C16H25NO2 — CID 62265556

IUPAC4-[N-(2-methylpentyl)anilino]butanoic acid
SMILESCCCC(C)CN(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-3-8-14(2)13-17(12-7-11-16(18)19)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3,(H,18,19)
InChIKeyDYUAMJDMPYAHDR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.79
Rot. Bonds9

About 4-[N-(2-methylpentyl)anilino]butanoic acid

4-[N-(2-methylpentyl)anilino]butanoic acid (PubChem CID 62265556) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[N-(2-methylpentyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-(2-methylpentyl)anilino]butanoic acid
PubChem CID62265556
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[N-(2-methylpentyl)anilino]butanoic acid
SMILESCCCC(C)CN(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-3-8-14(2)13-17(12-7-11-16(18)19)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3,(H,18,19)
InChIKeyDYUAMJDMPYAHDR-UHFFFAOYSA-N
XLogP3.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-(2-methylpentyl)aniline
CID 23123551
4-(N-ethylanilino)butanoic acid
CID 11390560
4-[2-methylpentyl(propan-2-yl)amino]butanoic acid
CID 62265559
3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid
CID 60839757
2-[N-(4-methylpentyl)anilino]acetic acid
CID 83158703
4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052
4-[N-(2-aminoethyl)anilino]butanoic acid
CID 63654603
4-[methyl(2-phenylpentanoyl)amino]butanoic acid
CID 119172838
4-[1-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058820
2-[3-chloro-N-(2-methylpentyl)anilino]acetic acid
CID 63402361
4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid
CID 60839271
1-N-butyl-1-N-phenylpropane-1,2-diamine
CID 64584797

Frequently Asked Questions

What is the IUPAC name of 4-[N-(2-methylpentyl)anilino]butanoic acid?
The IUPAC name of 4-[N-(2-methylpentyl)anilino]butanoic acid (CID 62265556) is 4-[N-(2-methylpentyl)anilino]butanoic acid.
What is the SMILES notation for 4-[N-(2-methylpentyl)anilino]butanoic acid?
The canonical SMILES for 4-[N-(2-methylpentyl)anilino]butanoic acid is CCCC(C)CN(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[N-(2-methylpentyl)anilino]butanoic acid?
The InChIKey is DYUAMJDMPYAHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-8-14(2)13-17(12-7-11-16(18)19)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3,(H,18,19).
What are the key properties of 4-[N-(2-methylpentyl)anilino]butanoic acid?
4-[N-(2-methylpentyl)anilino]butanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(2-methylpentyl)anilino]butanoic acid is sourced from PubChem (CID 62265556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).