4-(dimethylamino)-4-methylpentanoic acid;hydrochloride

C8H18ClNO2 — CID 167732809

IUPAC4-(dimethylamino)-4-methylpentanoic acid;hydrochloride
SMILESCN(C)C(C)(C)CCC(=O)O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,9(3)4)6-5-7(10)11;/h5-6H2,1-4H3,(H,10,11);1H
InChIKeyJSQSSMNIKKGJMS-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.61
Rot. Bonds4

About 4-(dimethylamino)-4-methylpentanoic acid;hydrochloride

4-(dimethylamino)-4-methylpentanoic acid;hydrochloride (PubChem CID 167732809) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is 4-(dimethylamino)-4-methylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)-4-methylpentanoic acid;hydrochloride
PubChem CID167732809
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name4-(dimethylamino)-4-methylpentanoic acid;hydrochloride
SMILESCN(C)C(C)(C)CCC(=O)O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-8(2,9(3)4)6-5-7(10)11;/h5-6H2,1-4H3,(H,10,11);1H
InChIKeyJSQSSMNIKKGJMS-UHFFFAOYSA-N
XLogP1.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trimethylammonio)pentanoic Acid
CID 73167559
2-Dimethylamino-2-methyl-pentanoic acid
CID 43803044
4-(Dimethylamino)-2,2-dimethylpentanoic acid
CID 57165325
4-(Dimethylamino)-2,3,3,4-tetramethylpentanoic acid
CID 87103286
4-Carboxybutan-2-yl(trimethyl)azanium
CID 90655246
4-[Ethyl(methyl)amino]-2-methylpentanoic acid
CID 90929569
4-(Dimethylamino)-2-methylpentanoic acid
CID 91296986
4-(Dimethylamino)-2,2,4-trimethylpentanoic acid
CID 91611216
4-Carboxypentan-2-yl-dimethyl-(4-methylpentan-2-yl)azanium
CID 122499423
2-Methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid
CID 122499424
4-(Dimethylamino)-2,2,4-trimethylhexanoic acid
CID 123590414
(4-Carboxy-2,4-dimethylpentan-2-yl)-trimethylazanium
CID 132064359

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-methylpentanoic acid;hydrochloride?
The IUPAC name of 4-(dimethylamino)-4-methylpentanoic acid;hydrochloride (CID 167732809) is 4-(dimethylamino)-4-methylpentanoic acid;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)-4-methylpentanoic acid;hydrochloride?
The canonical SMILES for 4-(dimethylamino)-4-methylpentanoic acid;hydrochloride is CN(C)C(C)(C)CCC(=O)O.Cl.
What is the InChIKey of 4-(dimethylamino)-4-methylpentanoic acid;hydrochloride?
The InChIKey is JSQSSMNIKKGJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-8(2,9(3)4)6-5-7(10)11;/h5-6H2,1-4H3,(H,10,11);1H.
What are the key properties of 4-(dimethylamino)-4-methylpentanoic acid;hydrochloride?
4-(dimethylamino)-4-methylpentanoic acid;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-methylpentanoic acid;hydrochloride is sourced from PubChem (CID 167732809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).