2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid

C15H24N2O2 — CID 106805637

IUPAC2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid
SMILESCCC(CCCN(C)c1ccccc1)(NC)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-4-15(16-2,14(18)19)11-8-12-17(3)13-9-6-5-7-10-13/h5-7,9-10,16H,4,8,11-12H2,1-3H3,(H,18,19)
InChIKeyYHVBYRFFFHQFDA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.36
Rot. Bonds8

About 2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid

2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid (PubChem CID 106805637) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid
PubChem CID106805637
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid
SMILESCCC(CCCN(C)c1ccccc1)(NC)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-4-15(16-2,14(18)19)11-8-12-17(3)13-9-6-5-7-10-13/h5-7,9-10,16H,4,8,11-12H2,1-3H3,(H,18,19)
InChIKeyYHVBYRFFFHQFDA-UHFFFAOYSA-N
XLogP2.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid
CID 106805572
2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid
CID 106806123
2-methyl-2-(methylamino)-N-[3-(N-methylanilino)propyl]propanamide
CID 62834119
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806525
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2-cyano-2-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 114290928
2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid
CID 106806593
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
CID 77063059
1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
CID 43229292
2-ethyl-2-(methylamino)-5-(4-propan-2-ylphenyl)sulfanylpentanoic acid
CID 106807340
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid (CID 106805637) is 2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid is CCC(CCCN(C)c1ccccc1)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid?
The InChIKey is YHVBYRFFFHQFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-15(16-2,14(18)19)11-8-12-17(3)13-9-6-5-7-10-13/h5-7,9-10,16H,4,8,11-12H2,1-3H3,(H,18,19).
What are the key properties of 2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid?
2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid is sourced from PubChem (CID 106805637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).