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

C14H27NO2 — CID 55146128

IUPAC2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid
SMILESCCN(CC(C)C)C1CCCCCC1C(=O)O
InChIInChI=1S/C14H27NO2/c1-4-15(10-11(2)3)13-9-7-5-6-8-12(13)14(16)17/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyFKLQRNCUWFHPCO-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds5

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

2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 55146128) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid
PubChem CID55146128
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid
SMILESCCN(CC(C)C)C1CCCCCC1C(=O)O
InChIInChI=1S/C14H27NO2/c1-4-15(10-11(2)3)13-9-7-5-6-8-12(13)14(16)17/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyFKLQRNCUWFHPCO-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid (CID 55146128) is 2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid is CCN(CC(C)C)C1CCCCCC1C(=O)O.
What is the InChIKey of 2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is FKLQRNCUWFHPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-15(10-11(2)3)13-9-7-5-6-8-12(13)14(16)17/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid?
2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylpropyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 55146128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).