2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid

C13H23NO2 — CID 63068292

IUPAC2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N(C)CC2CC2)C1
InChIInChI=1S/C13H23NO2/c1-9-3-6-11(13(15)16)12(7-9)14(2)8-10-4-5-10/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyVJBYLXSYDADHFJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.22
Rot. Bonds4

About 2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid

2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 63068292) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID63068292
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(N(C)CC2CC2)C1
InChIInChI=1S/C13H23NO2/c1-9-3-6-11(13(15)16)12(7-9)14(2)8-10-4-5-10/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyVJBYLXSYDADHFJ-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 63705687
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 55172406
2-[butyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068922
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
2-[(4-chlorophenyl)methyl-methylamino]-4-methylcyclohexane-1-carboxylic acid
CID 63072994
2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 63073876
2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid
CID 63725690
N-(cyclopropylmethyl)-N,3-dimethylcyclopentan-1-amine
CID 130920507
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-4-propylcyclohexane-1-carboxylic acid
CID 79311839
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63234790
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63068114
2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 63067550

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 63068292) is 2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)C(N(C)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is VJBYLXSYDADHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9-3-6-11(13(15)16)12(7-9)14(2)8-10-4-5-10/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid?
2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63068292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).