N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine

C15H23N3O — CID 102740583

IUPACN-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESCN(CCOc1cccc(CNC2CC2)n1)C1CC1
InChIInChI=1S/C15H23N3O/c1-18(14-7-8-14)9-10-19-15-4-2-3-13(17-15)11-16-12-5-6-12/h2-4,12,14,16H,5-11H2,1H3
InChIKeyTYBOIGKZOIGSGL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.81
Rot. Bonds8

About N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine

N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 102740583) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID102740583
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESCN(CCOc1cccc(CNC2CC2)n1)C1CC1
InChIInChI=1S/C15H23N3O/c1-18(14-7-8-14)9-10-19-15-4-2-3-13(17-15)11-16-12-5-6-12/h2-4,12,14,16H,5-11H2,1H3
InChIKeyTYBOIGKZOIGSGL-UHFFFAOYSA-N
XLogP1.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62290331
N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297378
N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62292133
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine
CID 62287510
N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298332
N-[2-[[6-ethyl-4-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740562
N-[[6-[[3-methoxypropyl(methyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906493
N-[2-[6-(aminomethyl)pyrazin-2-yl]oxyethyl]-N-methylcyclopropanamine
CID 102740601
N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740671
6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2,3-diamine
CID 102739784
N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740645

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine (CID 102740583) is N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine is CN(CCOc1cccc(CNC2CC2)n1)C1CC1.
What is the InChIKey of N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is TYBOIGKZOIGSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(14-7-8-14)9-10-19-15-4-2-3-13(17-15)11-16-12-5-6-12/h2-4,12,14,16H,5-11H2,1H3.
What are the key properties of N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 261.37 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 102740583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).