2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid

C15H28N2O2 — CID 103240507

IUPAC2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid
SMILESCN(CCCNC1CCC1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-17(12-6-3-2-4-7-12)11-5-10-16-14-9-8-13(14)15(18)19/h12-14,16H,2-11H2,1H3,(H,18,19)
InChIKeyPVVREDFIGCKSOG-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.09
Rot. Bonds7

About 2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid

2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid (PubChem CID 103240507) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid
PubChem CID103240507
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid
SMILESCN(CCCNC1CCC1C(=O)O)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-17(12-6-3-2-4-7-12)11-5-10-16-14-9-8-13(14)15(18)19/h12-14,16H,2-11H2,1H3,(H,18,19)
InChIKeyPVVREDFIGCKSOG-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid
CID 103251458
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682
N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 112740099
2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid
CID 106004248
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 60981234
1-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122172
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
CID 103237165
3-[3-[cyclohexyl(methyl)amino]propylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644040

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid (CID 103240507) is 2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid is CN(CCCNC1CCC1C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid?
The InChIKey is PVVREDFIGCKSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-17(12-6-3-2-4-7-12)11-5-10-16-14-9-8-13(14)15(18)19/h12-14,16H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid?
2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103240507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).