4-methyl-4-(methylamino)hexanoic acid

C8H17NO2 — CID 70978013

IUPAC4-methyl-4-(methylamino)hexanoic acid
SMILESCCC(C)(CCC(=O)O)NC
InChIInChI=1S/C8H17NO2/c1-4-8(2,9-3)6-5-7(10)11/h9H,4-6H2,1-3H3,(H,10,11)
InChIKeyUYXUFGBZZICZRX-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.24
Rot. Bonds5

About 4-methyl-4-(methylamino)hexanoic acid

4-methyl-4-(methylamino)hexanoic acid (PubChem CID 70978013) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-methyl-4-(methylamino)hexanoic acid.

Molecular Properties

Compound Name4-methyl-4-(methylamino)hexanoic acid
PubChem CID70978013
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-methyl-4-(methylamino)hexanoic acid
SMILESCCC(C)(CCC(=O)O)NC
InChIInChI=1S/C8H17NO2/c1-4-8(2,9-3)6-5-7(10)11/h9H,4-6H2,1-3H3,(H,10,11)
InChIKeyUYXUFGBZZICZRX-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-Methyl-3-((methylamino)methyl)hexanoic acid
CID 29984342
5-Methyl-3-(methylaminomethyl)hexanoic acid
CID 74603440
6-Fluoro-4-methyl-4-(methylamino)hexanoic acid
CID 89157057
4-Acetamido-4-ethylhexanoic acid
CID 129819080
(2S)-2-methyl-6-(methylamino)hexanoic acid
CID 15288119
1-[2-(Methylamino)ethyl]cyclopentane-1-carboxylic acid
CID 17920224
2-Methyl-6-(methylamino)hexanoic acid
CID 20675248
5-Methyl-4-(propan-2-ylamino)hexanoic acid
CID 20680987
2-[2-(Methylamino)ethyl]hexanoic acid
CID 21672859
2-[2-(Hexylamino)ethyl]pentanoic acid
CID 53968969
4-(2-Methylpentan-2-ylamino)butanoic acid
CID 54058757
2-Ethyl-2-(methylamino)pentanoic acid
CID 57464991

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(methylamino)hexanoic acid?
The IUPAC name of 4-methyl-4-(methylamino)hexanoic acid (CID 70978013) is 4-methyl-4-(methylamino)hexanoic acid.
What is the SMILES notation for 4-methyl-4-(methylamino)hexanoic acid?
The canonical SMILES for 4-methyl-4-(methylamino)hexanoic acid is CCC(C)(CCC(=O)O)NC.
What is the InChIKey of 4-methyl-4-(methylamino)hexanoic acid?
The InChIKey is UYXUFGBZZICZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-8(2,9-3)6-5-7(10)11/h9H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-methyl-4-(methylamino)hexanoic acid?
4-methyl-4-(methylamino)hexanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(methylamino)hexanoic acid is sourced from PubChem (CID 70978013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).