N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine

C14H22N2O — CID 62290331

IUPACN-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)CCOc1cccc(CNC2CC2)n1
InChIInChI=1S/C14H22N2O/c1-11(2)8-9-17-14-5-3-4-13(16-14)10-15-12-6-7-12/h3-5,11-12,15H,6-10H2,1-2H3
InChIKeyMJPZLUXBHCGAQD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds7

About N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62290331) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62290331
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)CCOc1cccc(CNC2CC2)n1
InChIInChI=1S/C14H22N2O/c1-11(2)8-9-17-14-5-3-4-13(16-14)10-15-12-6-7-12/h3-5,11-12,15H,6-10H2,1-2H3
InChIKeyMJPZLUXBHCGAQD-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 102740583
N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62292133
N-[[6-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297378
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-methyl-6-(3-methylbutoxy)pyridin-2-amine
CID 80859136
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
N-[[6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methyl]cyclopropanamine
CID 106449495
N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62321870
N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390
N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323460

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 62290331) is N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine is CC(C)CCOc1cccc(CNC2CC2)n1.
What is the InChIKey of N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is MJPZLUXBHCGAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)8-9-17-14-5-3-4-13(16-14)10-15-12-6-7-12/h3-5,11-12,15H,6-10H2,1-2H3.
What are the key properties of N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 234.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62290331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).