1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

C14H27NO2 — CID 62270125

IUPAC1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C(C)N(C)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(2)12(3)15(4)10-14(13(16)17)8-6-5-7-9-14/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyPHEUUTGOKSHAEI-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds5

About 1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 62270125) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID62270125
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)C(C)N(C)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(2)12(3)15(4)10-14(13(16)17)8-6-5-7-9-14/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyPHEUUTGOKSHAEI-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
[1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol
CID 62271498
1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270493
1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290
1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270655
1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55056603
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271036
1-[[(bromoamino)-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 166944123
1-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271215
1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423
1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79859219

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 62270125) is 1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is CC(C)C(C)N(C)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is PHEUUTGOKSHAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)12(3)15(4)10-14(13(16)17)8-6-5-7-9-14/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62270125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).