2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid

C15H30N2O2 — CID 83038523

IUPAC2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid
SMILESCCCC(NCCCN(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-3-8-14(15(18)19)16-11-7-12-17(2)13-9-5-4-6-10-13/h13-14,16H,3-12H2,1-2H3,(H,18,19)
InChIKeyHYAALFYBFGQHJT-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.48
Rot. Bonds9

About 2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid

2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid (PubChem CID 83038523) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid.

Molecular Properties

Compound Name2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid
PubChem CID83038523
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid
SMILESCCCC(NCCCN(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-3-8-14(15(18)19)16-11-7-12-17(2)13-9-5-4-6-10-13/h13-14,16H,3-12H2,1-2H3,(H,18,19)
InChIKeyHYAALFYBFGQHJT-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.48
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

4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid
CID 63027278
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid
CID 55144677
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
CID 61201099
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
CID 55126074
N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine
CID 54880326
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
(2R)-2-[[cyclohexyl(methyl)sulfamoyl]amino]pentanoic acid
CID 93252484
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686
2-(2-cyclohexylethylamino)hexanoic acid
CID 103240091
(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
CID 107567792

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid?
The IUPAC name of 2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid (CID 83038523) is 2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid.
What is the SMILES notation for 2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid?
The canonical SMILES for 2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid is CCCC(NCCCN(C)C1CCCCC1)C(=O)O.
What is the InChIKey of 2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid?
The InChIKey is HYAALFYBFGQHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-8-14(15(18)19)16-11-7-12-17(2)13-9-5-4-6-10-13/h13-14,16H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid?
2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.48, 9 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]pentanoic acid is sourced from PubChem (CID 83038523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).