3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid

C14H27NO2 — CID 110838605

IUPAC3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid
SMILESCN(C1CCC(C)(C)CC1)C(C)(C)CC(=O)O
InChIInChI=1S/C14H27NO2/c1-13(2)8-6-11(7-9-13)15(5)14(3,4)10-12(16)17/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyQTNZKBCHODFXEQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds4

About 3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid

3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid (PubChem CID 110838605) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid
PubChem CID110838605
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid
SMILESCN(C1CCC(C)(C)CC1)C(C)(C)CC(=O)O
InChIInChI=1S/C14H27NO2/c1-13(2)8-6-11(7-9-13)15(5)14(3,4)10-12(16)17/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyQTNZKBCHODFXEQ-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid
CID 117042397
3-methyl-3-[methyl(oxan-3-yl)amino]butanoic acid
CID 110838614
4-[(4,4-dimethylcyclohexyl)-methylamino]-3-hydroxybutanoic acid
CID 82770933
3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine
CID 20707077
2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid
CID 65241075
3-[methyl(2-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79650792
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide
CID 114290836
2-[cyclobutyl(methyl)amino]-2-methylpropan-1-ol
CID 115133352
2-[(3,3-dimethylcyclopentyl)-ethylamino]acetic acid
CID 80698921
(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
CID 113353538
3-(4,4-dimethylcyclohexyl)propanoic acid
CID 161463484
3-cyclohexyl-3-(dimethylamino)butanoic acid
CID 64527768

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid?
The IUPAC name of 3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid (CID 110838605) is 3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid is CN(C1CCC(C)(C)CC1)C(C)(C)CC(=O)O.
What is the InChIKey of 3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid?
The InChIKey is QTNZKBCHODFXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2)8-6-11(7-9-13)15(5)14(3,4)10-12(16)17/h11H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid?
3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid is sourced from PubChem (CID 110838605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).