6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid

C15H31NO2 — CID 114200371

IUPAC6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid
SMILESCC(C)CC(C)CNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C15H31NO2/c1-12(2)10-13(3)11-16-9-8-15(4,5)7-6-14(17)18/h12-13,16H,6-11H2,1-5H3,(H,17,18)
InChIKeyKESWBKBJDZDXBF-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.54
Rot. Bonds10

About 6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid

6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid (PubChem CID 114200371) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid
PubChem CID114200371
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid
SMILESCC(C)CC(C)CNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C15H31NO2/c1-12(2)10-13(3)11-16-9-8-15(4,5)7-6-14(17)18/h12-13,16H,6-11H2,1-5H3,(H,17,18)
InChIKeyKESWBKBJDZDXBF-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.54
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

6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
CID 65287517
6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
CID 65287286
4,4-dimethyl-6-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]hexanoic acid
CID 65288816
6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid
CID 103159401
6-(decylamino)-4,4-dimethylhexanoic acid
CID 65289065
4,4-dimethyl-6-(nonylamino)hexanoic acid
CID 65287173
6-(but-3-ynylamino)-4,4-dimethylhexanoic acid
CID 65287661
4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
CID 65284966
6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65290122
4,4-dimethyl-6-(2,3,3-trimethylbutylcarbamoylamino)hexanoic acid
CID 83142689
6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
CID 83147001

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid?
The IUPAC name of 6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid (CID 114200371) is 6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid is CC(C)CC(C)CNCCC(C)(C)CCC(=O)O.
What is the InChIKey of 6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid?
The InChIKey is KESWBKBJDZDXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(2)10-13(3)11-16-9-8-15(4,5)7-6-14(17)18/h12-13,16H,6-11H2,1-5H3,(H,17,18).
What are the key properties of 6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid?
6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid has a molecular weight of 257.42 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid is sourced from PubChem (CID 114200371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).