1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid

C16H29NO2 — CID 60998427

IUPAC1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
SMILESCC1CC(C)(C)CC(NC2CCCCC2)(C(=O)O)C1
InChIInChI=1S/C16H29NO2/c1-12-9-15(2,3)11-16(10-12,14(18)19)17-13-7-5-4-6-8-13/h12-13,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyLPTHJGNKCXJCOX-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.58
Rot. Bonds3

About 1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid

1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid (PubChem CID 60998427) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
PubChem CID60998427
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
SMILESCC1CC(C)(C)CC(NC2CCCCC2)(C(=O)O)C1
InChIInChI=1S/C16H29NO2/c1-12-9-15(2,3)11-16(10-12,14(18)19)17-13-7-5-4-6-8-13/h12-13,17H,4-11H2,1-3H3,(H,18,19)
InChIKeyLPTHJGNKCXJCOX-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid (CID 60998427) is 1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid is CC1CC(C)(C)CC(NC2CCCCC2)(C(=O)O)C1.
What is the InChIKey of 1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid?
The InChIKey is LPTHJGNKCXJCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12-9-15(2,3)11-16(10-12,14(18)19)17-13-7-5-4-6-8-13/h12-13,17H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid?
1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 60998427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).