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

C17H33NO3 — CID 63069195

IUPAC2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C1CCC(C(=O)O)C(N(C)C(C)COC)C1
InChIInChI=1S/C17H33NO3/c1-7-17(3,4)13-8-9-14(16(19)20)15(10-13)18(5)12(2)11-21-6/h12-15H,7-11H2,1-6H3,(H,19,20)
InChIKeyPYRRBSXRMNDODS-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.26
Rot. Bonds7

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

2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 63069195) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
PubChem CID63069195
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)C1CCC(C(=O)O)C(N(C)C(C)COC)C1
InChIInChI=1S/C17H33NO3/c1-7-17(3,4)13-8-9-14(16(19)20)15(10-13)18(5)12(2)11-21-6/h12-15H,7-11H2,1-6H3,(H,19,20)
InChIKeyPYRRBSXRMNDODS-UHFFFAOYSA-N
XLogP3.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 63068777
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-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 120983922
2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine
CID 82939923
2-[3-methoxypropyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 62985705
2-N-(1-methoxypropan-2-yl)-2-N,4-dimethylcyclohexane-1,2-diamine
CID 61453513
4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 13150786
N-(2-methoxyethyl)-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanamide
CID 115574010
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(2-propan-2-yloxyethyl)cyclohexane-1,2-diamine
CID 81055494
4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267313

Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid (CID 63069195) is 2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid is CCC(C)(C)C1CCC(C(=O)O)C(N(C)C(C)COC)C1.
What is the InChIKey of 2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is PYRRBSXRMNDODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-7-17(3,4)13-8-9-14(16(19)20)15(10-13)18(5)12(2)11-21-6/h12-15H,7-11H2,1-6H3,(H,19,20).
What are the key properties of 2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid?
2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 299.46 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxypropan-2-yl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63069195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).