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

C17H33NO2 — CID 63068777

IUPAC2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
SMILESCCC(C)N(C)C1CC(C(C)(C)CC)CCC1C(=O)O
InChIInChI=1S/C17H33NO2/c1-7-12(3)18(6)15-11-13(17(4,5)8-2)9-10-14(15)16(19)20/h12-15H,7-11H2,1-6H3,(H,19,20)
InChIKeyRRYDNGZDBTVXBW-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.02
Rot. Bonds6

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

2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 63068777) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
PubChem CID63068777
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
SMILESCCC(C)N(C)C1CC(C(C)(C)CC)CCC1C(=O)O
InChIInChI=1S/C17H33NO2/c1-7-12(3)18(6)15-11-13(17(4,5)8-2)9-10-14(15)16(19)20/h12-15H,7-11H2,1-6H3,(H,19,20)
InChIKeyRRYDNGZDBTVXBW-UHFFFAOYSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 63069195
2-[cyclobutylmethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 63073876
2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 55146906
4-tert-butyl-2-(dimethylamino)cyclohexane-1-carboxylic acid
CID 63068566
2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
CID 65057438
2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293755
4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 13150786
2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile
CID 43291990
2-[2-hydroxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 55060778
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63068114
2-[methyl(4-methylpentan-2-yl)amino]cycloheptane-1-carboxylic acid
CID 55146706
5-(2-methylbutan-2-yl)cyclohexane-1,3-dicarboxylic acid
CID 67154598

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid (CID 63068777) is 2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid is CCC(C)N(C)C1CC(C(C)(C)CC)CCC1C(=O)O.
What is the InChIKey of 2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is RRYDNGZDBTVXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-7-12(3)18(6)15-11-13(17(4,5)8-2)9-10-14(15)16(19)20/h12-15H,7-11H2,1-6H3,(H,19,20).
What are the key properties of 2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 283.46 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-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63068777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).