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

C18H33NO2 — CID 79530082

IUPAC4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCC1CCCC(NCC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C18H33NO2/c1-2-4-14-5-3-6-17(12-9-14)19-13-15-7-10-16(11-8-15)18(20)21/h14-17,19H,2-13H2,1H3,(H,20,21)
InChIKeyYSZCKYOFCKTXFJ-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.22
Rot. Bonds6

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

4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79530082) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79530082
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCC1CCCC(NCC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C18H33NO2/c1-2-4-14-5-3-6-17(12-9-14)19-13-15-7-10-16(11-8-15)18(20)21/h14-17,19H,2-13H2,1H3,(H,20,21)
InChIKeyYSZCKYOFCKTXFJ-UHFFFAOYSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532071
4-propylcyclononane-1-carboxylic acid
CID 123911377
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372
N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091371
N-methyl-2-[(4-propylcycloheptyl)amino]acetamide
CID 65086398
3-[(4-propylcycloheptyl)amino]propanamide
CID 65086939
4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid
CID 115149137
N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine
CID 65091062
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091165
methyl 4-[(4-propylcycloheptyl)amino]butanoate
CID 65091252
N-[(3-propylcyclobutyl)methyl]cyclopentanamine
CID 97034535
N-[(2-methylcyclopentyl)methyl]-4-propylcyclohexan-1-amine
CID 107417481

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79530082) is 4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid is CCCC1CCCC(NCC2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YSZCKYOFCKTXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-2-4-14-5-3-6-17(12-9-14)19-13-15-7-10-16(11-8-15)18(20)21/h14-17,19H,2-13H2,1H3,(H,20,21).
What are the key properties of 4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 295.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79530082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).