4-(cyclohexylamino)cyclohexane-1-carboxylic acid

C13H23NO2 — CID 60810015

IUPAC4-(cyclohexylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C13H23NO2/c15-13(16)10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h10-12,14H,1-9H2,(H,15,16)
InChIKeyWZXIZFRACYGCPK-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.55
Rot. Bonds3

About 4-(cyclohexylamino)cyclohexane-1-carboxylic acid

4-(cyclohexylamino)cyclohexane-1-carboxylic acid (PubChem CID 60810015) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-(cyclohexylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclohexylamino)cyclohexane-1-carboxylic acid
PubChem CID60810015
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-(cyclohexylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C13H23NO2/c15-13(16)10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h10-12,14H,1-9H2,(H,15,16)
InChIKeyWZXIZFRACYGCPK-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(cyclohexylamino)cyclohexane-1-carboxylic acid (CID 60810015) is 4-(cyclohexylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(cyclohexylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(cyclohexylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexylamino)cyclohexane-1-carboxylic acid?
The InChIKey is WZXIZFRACYGCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13(16)10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h10-12,14H,1-9H2,(H,15,16).
What are the key properties of 4-(cyclohexylamino)cyclohexane-1-carboxylic acid?
4-(cyclohexylamino)cyclohexane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).