1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid

C14H27NO2 — CID 114991397

IUPAC1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid
SMILESCCCCN(CC)C1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H27NO2/c1-3-5-12-15(4-2)14(13(16)17)10-8-6-7-9-11-14/h3-12H2,1-2H3,(H,16,17)
InChIKeyFDTIKGPVJOZKPE-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.29
Rot. Bonds6

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

1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 114991397) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid
PubChem CID114991397
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid
SMILESCCCCN(CC)C1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H27NO2/c1-3-5-12-15(4-2)14(13(16)17)10-8-6-7-9-11-14/h3-12H2,1-2H3,(H,16,17)
InChIKeyFDTIKGPVJOZKPE-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(diethylamino)cyclododecane-1-carboxylic acid
CID 43803612
1-(diethylamino)cycloheptane-1-carboxylic acid
CID 43803613
4-[butyl(ethyl)amino]thiane-4-carboxylic acid
CID 114993065
1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
CID 114996679
3-[butyl(ethyl)amino]thiolane-3-carboxylic acid
CID 114993413
1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid
CID 114995058
1-[methyl(propyl)amino]cyclooctane-1-carboxylic acid
CID 82238465
1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
CID 114991786
1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 82236408
1-[acetyl(propyl)amino]cycloheptane-1-carboxylic acid
CID 63704010
1-[hexanoyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120539722
1-(diethylamino)cyclohexane-1-carboxamide
CID 16762798

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid (CID 114991397) is 1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid is CCCCN(CC)C1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is FDTIKGPVJOZKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-5-12-15(4-2)14(13(16)17)10-8-6-7-9-11-14/h3-12H2,1-2H3,(H,16,17).
What are the key properties of 1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid?
1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(ethyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 114991397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).