4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid

C16H29NO2 — CID 115149167

IUPAC4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(CNC1CCC(C(=O)O)CC1)C1CCCC1
InChIInChI=1S/C16H29NO2/c1-16(2,13-5-3-4-6-13)11-17-14-9-7-12(8-10-14)15(18)19/h12-14,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyZUBLQHPXJQVUHT-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.44
Rot. Bonds5

About 4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid

4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115149167) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115149167
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(CNC1CCC(C(=O)O)CC1)C1CCCC1
InChIInChI=1S/C16H29NO2/c1-16(2,13-5-3-4-6-13)11-17-14-9-7-12(8-10-14)15(18)19/h12-14,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyZUBLQHPXJQVUHT-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-cyclopentyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122007737
4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122008436
4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid
CID 114494786
4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid
CID 115149137
N-(2-cyclohexyl-2-methylpropyl)piperidin-4-amine
CID 115118581
4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 13150786
N-(2-methyl-2-piperidin-3-ylpropyl)cyclopropanamine
CID 83200198
N-(2-cyclopentyl-2-methylpropyl)thiolan-3-amine
CID 115895846
2-cyclopentyl-1-(cyclopentylamino)propan-2-ol
CID 82239501
4-(but-2-ynylamino)cyclohexane-1-carboxylic acid
CID 62312161
4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809874
N-(2-cyclohexyl-2-methylpropyl)thiolan-3-amine
CID 115897210

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid (CID 115149167) is 4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid is CC(C)(CNC1CCC(C(=O)O)CC1)C1CCCC1.
What is the InChIKey of 4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZUBLQHPXJQVUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2,13-5-3-4-6-13)11-17-14-9-7-12(8-10-14)15(18)19/h12-14,17H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentyl-2-methylpropyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115149167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).