2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid

C18H33NO2 — CID 63069511

IUPAC2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N(C)C2CCCCCC2)C1
InChIInChI=1S/C18H33NO2/c1-3-8-14-11-12-16(18(20)21)17(13-14)19(2)15-9-6-4-5-7-10-15/h14-17H,3-13H2,1-2H3,(H,20,21)
InChIKeyCWLIZVQTAWRJPD-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.31
Rot. Bonds5

About 2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid

2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid (PubChem CID 63069511) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid
PubChem CID63069511
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N(C)C2CCCCCC2)C1
InChIInChI=1S/C18H33NO2/c1-3-8-14-11-12-16(18(20)21)17(13-14)19(2)15-9-6-4-5-7-10-15/h14-17H,3-13H2,1-2H3,(H,20,21)
InChIKeyCWLIZVQTAWRJPD-UHFFFAOYSA-N
XLogP4.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cycloheptyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 80996383
2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid
CID 63725690
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-4-propylcyclohexane-1-carboxylic acid
CID 79311839
2-[cyclohexyl(ethyl)amino]cyclobutane-1-carboxylic acid
CID 80997243
2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020736
4-methyl-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carboxylic acid
CID 55148435
2-[methyl(pyridin-3-ylmethyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63068622
4-propylcyclononane-1-carboxylic acid
CID 123911377
2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069609
2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid
CID 107889260
2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid
CID 114991724
2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
CID 55147863

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid (CID 63069511) is 2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(N(C)C2CCCCCC2)C1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is CWLIZVQTAWRJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-3-8-14-11-12-16(18(20)21)17(13-14)19(2)15-9-6-4-5-7-10-15/h14-17H,3-13H2,1-2H3,(H,20,21).
What are the key properties of 2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid?
2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 295.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63069511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).