4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid

C15H27NO2 — CID 112753652

IUPAC4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
SMILESCC1(CNC2CCC(C(=O)O)CC2)CCCCC1
InChIInChI=1S/C15H27NO2/c1-15(9-3-2-4-10-15)11-16-13-7-5-12(6-8-13)14(17)18/h12-13,16H,2-11H2,1H3,(H,17,18)
InChIKeyMFWAZAJBPBKSLG-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.19
Rot. Bonds4

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

4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 112753652) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID112753652
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
SMILESCC1(CNC2CCC(C(=O)O)CC2)CCCCC1
InChIInChI=1S/C15H27NO2/c1-15(9-3-2-4-10-15)11-16-13-7-5-12(6-8-13)14(17)18/h12-13,16H,2-11H2,1H3,(H,17,18)
InChIKeyMFWAZAJBPBKSLG-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
CID 130601573
tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate
CID 103949089
4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031288
N,N-dimethyl-4-[(1-methylcyclohexyl)methylamino]piperidine-1-carboxamide
CID 103912850
3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 107163347
4-[[1-(3-methylphenyl)cyclohexyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030435
4-[(cyclopropylamino)methyl]-4-methylcyclohexan-1-ol
CID 130531645
4-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 122032364
1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
CID 103903498
N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine
CID 63822404
4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753604
4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023316

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid (CID 112753652) is 4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid is CC1(CNC2CCC(C(=O)O)CC2)CCCCC1.
What is the InChIKey of 4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is MFWAZAJBPBKSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(9-3-2-4-10-15)11-16-13-7-5-12(6-8-13)14(17)18/h12-13,16H,2-11H2,1H3,(H,17,18).
What are the key properties of 4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid?
4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 112753652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).