1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid

C13H23NO2 — CID 68682362

IUPAC1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid
SMILESCCC1CC1(CNC1CCCCC1)C(=O)O
InChIInChI=1S/C13H23NO2/c1-2-10-8-13(10,12(15)16)9-14-11-6-4-3-5-7-11/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyLAFTVIVOTKPKBU-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.41
Rot. Bonds5

About 1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid

1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid (PubChem CID 68682362) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid
PubChem CID68682362
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid
SMILESCCC1CC1(CNC1CCCCC1)C(=O)O
InChIInChI=1S/C13H23NO2/c1-2-10-8-13(10,12(15)16)9-14-11-6-4-3-5-7-11/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyLAFTVIVOTKPKBU-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid (CID 68682362) is 1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid is CCC1CC1(CNC1CCCCC1)C(=O)O.
What is the InChIKey of 1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid?
The InChIKey is LAFTVIVOTKPKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-10-8-13(10,12(15)16)9-14-11-6-4-3-5-7-11/h10-11,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid?
1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclohexylamino)methyl]-2-ethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 68682362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).