4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid

C15H27NO2 — CID 79532071

IUPAC4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NCC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H27NO2/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(7-5-12)15(17)18/h11-14,16H,2-10H2,1H3,(H,17,18)
InChIKeyHVZRBWXPUQILRY-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.05
Rot. Bonds4

About 4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79532071) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79532071
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NCC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H27NO2/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(7-5-12)15(17)18/h11-14,16H,2-10H2,1H3,(H,17,18)
InChIKeyHVZRBWXPUQILRY-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-4-methylcyclohexan-1-amine
CID 43190640
4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79530082
4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565225
4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031272
4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808097
CID 173230624
CID 173230624
4-[(thiolan-3-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532658
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104964096
N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63462599
trans-(1S,2S)-4-[(cyclopropylamino)methyl]cyclohexane-1,2-dicarboxylic acid
CID 68649727
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532324

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79532071) is 4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid is CC1CCC(NCC2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is HVZRBWXPUQILRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(7-5-12)15(17)18/h11-14,16H,2-10H2,1H3,(H,17,18).
What are the key properties of 4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79532071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).