2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid

C13H26N2O2 — CID 65496112

IUPAC2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid
SMILESCCCN(CCN(C)C)CC1(CC(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-7-15(9-8-14(2)3)11-13(5-6-13)10-12(16)17/h4-11H2,1-3H3,(H,16,17)
InChIKeyCJAVGODUPMIFAB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.51
Rot. Bonds9

About 2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid

2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid (PubChem CID 65496112) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid
PubChem CID65496112
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid
SMILESCCCN(CCN(C)C)CC1(CC(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-7-15(9-8-14(2)3)11-13(5-6-13)10-12(16)17/h4-11H2,1-3H3,(H,16,17)
InChIKeyCJAVGODUPMIFAB-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[2-(dimethylamino)ethyl-ethylamino]methyl]cyclopropyl]methanol
CID 167120213
N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65002076
2-[1-[(dipropylamino)methyl]cyclopropyl]ethanol
CID 114757429
N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 81170922
2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid
CID 65497581
2-(1-dodecylcyclopropyl)acetic acid
CID 21495392
2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804933
4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid
CID 82769678
2-[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopropyl]acetic acid
CID 65497799
1-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
CID 114991786
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
CID 83019357
4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid
CID 65248284

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid (CID 65496112) is 2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid is CCCN(CCN(C)C)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid?
The InChIKey is CJAVGODUPMIFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-7-15(9-8-14(2)3)11-13(5-6-13)10-12(16)17/h4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid?
2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid has a molecular weight of 242.36 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)ethyl-propylamino]methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65496112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).