2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid

C18H33NO2 — CID 63073876

IUPAC2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C1CCC(C(=O)O)C(N(C)CC2CCC2)C1
InChIInChI=1S/C18H33NO2/c1-5-18(2,3)14-9-10-15(17(20)21)16(11-14)19(4)12-13-7-6-8-13/h13-16H,5-12H2,1-4H3,(H,20,21)
InChIKeySKBYBUQTZQDNTQ-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.02
Rot. Bonds6

About 2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid

2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 63073876) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
PubChem CID63073876
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C1CCC(C(=O)O)C(N(C)CC2CCC2)C1
InChIInChI=1S/C18H33NO2/c1-5-18(2,3)14-9-10-15(17(20)21)16(11-14)19(4)12-13-7-6-8-13/h13-16H,5-12H2,1-4H3,(H,20,21)
InChIKeySKBYBUQTZQDNTQ-UHFFFAOYSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 63068777
2-(aminomethyl)-N-(cyclopropylmethyl)-N-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 54883914
2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068292
4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
CID 63712484
2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 63069195
4-[(4-tert-butylcyclohexyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 104576053
4-methyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 63705687
2-[cyclopropyl(cyclopropylmethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 64522611
4-tert-butyl-2-(dimethylamino)cyclohexane-1-carboxylic acid
CID 63068566
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275857
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 55172406
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63234790

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid (CID 63073876) is 2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid is CCC(C)(C)C1CCC(C(=O)O)C(N(C)CC2CCC2)C1.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is SKBYBUQTZQDNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-5-18(2,3)14-9-10-15(17(20)21)16(11-14)19(4)12-13-7-6-8-13/h13-16H,5-12H2,1-4H3,(H,20,21).
What are the key properties of 2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 295.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63073876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).