4-(propylamino)cyclohexane-1-carboxylic acid

C10H19NO2 — CID 60810031

IUPAC4-(propylamino)cyclohexane-1-carboxylic acid
SMILESCCCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-2-7-11-9-5-3-8(4-6-9)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyZWLAABALRULOFP-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.63
Rot. Bonds4

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

4-(propylamino)cyclohexane-1-carboxylic acid (PubChem CID 60810031) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(propylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(propylamino)cyclohexane-1-carboxylic acid
PubChem CID60810031
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(propylamino)cyclohexane-1-carboxylic acid
SMILESCCCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-2-7-11-9-5-3-8(4-6-9)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyZWLAABALRULOFP-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(propylamino)cyclohexane-1-carboxylic acid (CID 60810031) is 4-(propylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(propylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(propylamino)cyclohexane-1-carboxylic acid is CCCNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(propylamino)cyclohexane-1-carboxylic acid?
The InChIKey is ZWLAABALRULOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-7-11-9-5-3-8(4-6-9)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-(propylamino)cyclohexane-1-carboxylic acid?
4-(propylamino)cyclohexane-1-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).