3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid

C15H29NO2 — CID 65264467

IUPAC3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC1CCC(NC(C)(C)C(C)(C)C(=O)O)CC1C
InChIInChI=1S/C15H29NO2/c1-10-7-8-12(9-11(10)2)16-15(5,6)14(3,4)13(17)18/h10-12,16H,7-9H2,1-6H3,(H,17,18)
InChIKeyJLOXBFWDWAKPON-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.29
Rot. Bonds4

About 3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid

3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65264467) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID65264467
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC1CCC(NC(C)(C)C(C)(C)C(=O)O)CC1C
InChIInChI=1S/C15H29NO2/c1-10-7-8-12(9-11(10)2)16-15(5,6)14(3,4)13(17)18/h10-12,16H,7-9H2,1-6H3,(H,17,18)
InChIKeyJLOXBFWDWAKPON-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801005
3,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
CID 64745213
3-(cyclopropanecarbonylamino)-2,2,3-trimethylbutanoic acid
CID 65261547
2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid
CID 64746960
2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 65266273
1-[(3,4-dimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64742373
(2R)-4-amino-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-oxobutanoic acid
CID 107828111
2-[[(3,4-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103253355
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide
CID 78999327
3-[3-(cyclopropylamino)propylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65266295
2-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-2-methylbutanamide
CID 113270099
2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide
CID 64742950

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid (CID 65264467) is 3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid is CC1CCC(NC(C)(C)C(C)(C)C(=O)O)CC1C.
What is the InChIKey of 3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is JLOXBFWDWAKPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-10-7-8-12(9-11(10)2)16-15(5,6)14(3,4)13(17)18/h10-12,16H,7-9H2,1-6H3,(H,17,18).
What are the key properties of 3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylcyclohexyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65264467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).