2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid

C12H21NO2 — CID 115221553

IUPAC2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CNCC1CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(15)11-6-10(11)8-13-7-9-4-2-1-3-5-9/h9-11,13H,1-8H2,(H,14,15)
InChIKeyNRIMEIXYJHPHTK-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.88
Rot. Bonds5

About 2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid

2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221553) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115221553
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CNCC1CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(15)11-6-10(11)8-13-7-9-4-2-1-3-5-9/h9-11,13H,1-8H2,(H,14,15)
InChIKeyNRIMEIXYJHPHTK-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(cyclobutylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221350
cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638
2-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 104576051
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
2-[(2,2,3,3-tetramethylbutylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221739
2-[(3,3-dimethylbutylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221630
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid
CID 81020373
N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine
CID 106121204
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948
2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115221764
(1S,6S)-6-(cyclohexylmethylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27485091

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid (CID 115221553) is 2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1CNCC1CCCCC1.
What is the InChIKey of 2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is NRIMEIXYJHPHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(15)11-6-10(11)8-13-7-9-4-2-1-3-5-9/h9-11,13H,1-8H2,(H,14,15).
What are the key properties of 2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid?
2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).