2-ethyl-4-methyl-2-(pentylamino)hexanoic acid

C14H29NO2 — CID 114994123

IUPAC2-ethyl-4-methyl-2-(pentylamino)hexanoic acid
SMILESCCCCCNC(CC)(CC(C)CC)C(=O)O
InChIInChI=1S/C14H29NO2/c1-5-8-9-10-15-14(7-3,13(16)17)11-12(4)6-2/h12,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyGZHOVLDYBKYYNU-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.44
Rot. Bonds10

About 2-ethyl-4-methyl-2-(pentylamino)hexanoic acid

2-ethyl-4-methyl-2-(pentylamino)hexanoic acid (PubChem CID 114994123) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2-(pentylamino)hexanoic acid.

Molecular Properties

Compound Name2-ethyl-4-methyl-2-(pentylamino)hexanoic acid
PubChem CID114994123
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-ethyl-4-methyl-2-(pentylamino)hexanoic acid
SMILESCCCCCNC(CC)(CC(C)CC)C(=O)O
InChIInChI=1S/C14H29NO2/c1-5-8-9-10-15-14(7-3,13(16)17)11-12(4)6-2/h12,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyGZHOVLDYBKYYNU-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(hexylamino)butanoic acid
CID 79804258
2-ethyl-4-methyl-2-(methylamino)hexanoic acid
CID 43753669
2-acetamido-2-ethyl-4-methylhexanoic acid
CID 63702394
2-(butylamino)-2-ethyl-4-oxopentanoic acid
CID 122603773
2-(docosylamino)-4-hydroxy-2-(2-hydroxyethyl)butanoic acid
CID 158170321
2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid
CID 106727638
2-methyl-2-(nonylamino)propanoic acid
CID 65263943
4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid
CID 114868055
2-(3-aminopropylamino)-2-ethylbutanoic acid
CID 78987423
2-ethyl-2-(4-methoxybutylamino)butanoic acid
CID 115595143
2-ethyl-2-(heptan-2-ylamino)butanoic acid
CID 114996703
2-(nonylamino)-2-(2-oxoethyl)hexanoic acid
CID 170325808

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2-(pentylamino)hexanoic acid?
The IUPAC name of 2-ethyl-4-methyl-2-(pentylamino)hexanoic acid (CID 114994123) is 2-ethyl-4-methyl-2-(pentylamino)hexanoic acid.
What is the SMILES notation for 2-ethyl-4-methyl-2-(pentylamino)hexanoic acid?
The canonical SMILES for 2-ethyl-4-methyl-2-(pentylamino)hexanoic acid is CCCCCNC(CC)(CC(C)CC)C(=O)O.
What is the InChIKey of 2-ethyl-4-methyl-2-(pentylamino)hexanoic acid?
The InChIKey is GZHOVLDYBKYYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-8-9-10-15-14(7-3,13(16)17)11-12(4)6-2/h12,15H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 2-ethyl-4-methyl-2-(pentylamino)hexanoic acid?
2-ethyl-4-methyl-2-(pentylamino)hexanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-2-(pentylamino)hexanoic acid is sourced from PubChem (CID 114994123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).