2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid

C13H23NO2 — CID 63068767

IUPAC2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid
SMILESCCN(C1CC1)C1CCCCCC1C(=O)O
InChIInChI=1S/C13H23NO2/c1-2-14(10-8-9-10)12-7-5-3-4-6-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyKNNIJXKDQGKWPY-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.50
Rot. Bonds4

About 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid

2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 63068767) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid
PubChem CID63068767
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid
SMILESCCN(C1CC1)C1CCCCCC1C(=O)O
InChIInChI=1S/C13H23NO2/c1-2-14(10-8-9-10)12-7-5-3-4-6-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyKNNIJXKDQGKWPY-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid
CID 80997243
2-[cyclopropyl(2-methoxyethyl)amino]cycloheptane-1-carboxylic acid
CID 63074524
2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 16792487
2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 63074561
2-(dipropylamino)cyclopentane-1-carboxylic acid
CID 63067720
2-[propan-2-yl(propyl)amino]cycloheptane-1-carboxylic acid
CID 63068949
2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid
CID 55146706
2-methylcyclooctane-1-carboxylic acid
CID 21039885
2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine
CID 63465935
2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
CID 63073672
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid
CID 103191967
2-[methyl(2-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 63067917

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid (CID 63068767) is 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid is CCN(C1CC1)C1CCCCCC1C(=O)O.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is KNNIJXKDQGKWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-14(10-8-9-10)12-7-5-3-4-6-11(12)13(15)16/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid?
2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 63068767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).