1-(diethylamino)cycloheptane-1-carboxylic acid

C12H23NO2 — CID 43803613

IUPAC1-(diethylamino)cycloheptane-1-carboxylic acid
SMILESCCN(CC)C1(C(=O)O)CCCCCC1
InChIInChI=1S/C12H23NO2/c1-3-13(4-2)12(11(14)15)9-7-5-6-8-10-12/h3-10H2,1-2H3,(H,14,15)
InChIKeyUWVXYEPSOVYAEM-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.51
Rot. Bonds4

About 1-(diethylamino)cycloheptane-1-carboxylic acid

1-(diethylamino)cycloheptane-1-carboxylic acid (PubChem CID 43803613) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(diethylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(diethylamino)cycloheptane-1-carboxylic acid
PubChem CID43803613
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(diethylamino)cycloheptane-1-carboxylic acid
SMILESCCN(CC)C1(C(=O)O)CCCCCC1
InChIInChI=1S/C12H23NO2/c1-3-13(4-2)12(11(14)15)9-7-5-6-8-10-12/h3-10H2,1-2H3,(H,14,15)
InChIKeyUWVXYEPSOVYAEM-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(diethylamino)cycloheptane-1-carboxylic acid (CID 43803613) is 1-(diethylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(diethylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(diethylamino)cycloheptane-1-carboxylic acid is CCN(CC)C1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-(diethylamino)cycloheptane-1-carboxylic acid?
The InChIKey is UWVXYEPSOVYAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-13(4-2)12(11(14)15)9-7-5-6-8-10-12/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-(diethylamino)cycloheptane-1-carboxylic acid?
1-(diethylamino)cycloheptane-1-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43803613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).