1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid

C13H17NO2 — CID 82114218

IUPAC1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-14(11-6-4-3-5-7-11)10-13(8-9-13)12(15)16/h3-7H,2,8-10H2,1H3,(H,15,16)
InChIKeyKPFRHLZICBYGMM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.38
Rot. Bonds5

About 1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid

1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 82114218) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid
PubChem CID82114218
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-14(11-6-4-3-5-7-11)10-13(8-9-13)12(15)16/h3-7H,2,8-10H2,1H3,(H,15,16)
InChIKeyKPFRHLZICBYGMM-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(N-ethylanilino)methyl]oxane-4-carboxylic acid
CID 62392576
3-[(N-ethyl-4-methylanilino)methyl]oxolane-3-carboxylic acid
CID 62272520
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312370
N,N-diethylaniline
CID 7061
N-[(1-aminocyclohexyl)methyl]-N-ethylaniline
CID 28599063
1-[4-(diethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 117408044
1-[3-(diethylamino)phenyl]cyclobutane-1-carboxylic acid
CID 117371185
1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid
CID 117440769
boric acid;dodecakis(N,N-diethylaniline)
CID 172757601
bis(N,N-diethylaniline);sulfuric acid;hydrate
CID 174461445
N,N-diethylaniline;hydrazine
CID 161037544
tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate
CID 126847179

Frequently Asked Questions

What is the IUPAC name of 1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid (CID 82114218) is 1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid is CCN(CC1(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is KPFRHLZICBYGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-14(11-6-4-3-5-7-11)10-13(8-9-13)12(15)16/h3-7H,2,8-10H2,1H3,(H,15,16).
What are the key properties of 1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid?
1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(N-ethylanilino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82114218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).