N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine

C13H18N2O — CID 62287510

IUPACN-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(OC2CCC2)c1
InChIInChI=1S/C13H18N2O/c1-3-11(9-14-10-7-8-10)15-13(6-1)16-12-4-2-5-12/h1,3,6,10,12,14H,2,4-5,7-9H2
InChIKeyRKLQZKPBZSFLSP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.26
Rot. Bonds5

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

N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine (PubChem CID 62287510) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine
PubChem CID62287510
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(OC2CCC2)c1
InChIInChI=1S/C13H18N2O/c1-3-11(9-14-10-7-8-10)15-13(6-1)16-12-4-2-5-12/h1,3,6,10,12,14H,2,4-5,7-9H2
InChIKeyRKLQZKPBZSFLSP-UHFFFAOYSA-N
XLogP2.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-cyclopentyloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62289891
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
(6-cycloheptyloxy-2-pyridinyl)methanamine
CID 62297875
N-methyl-1-[6-(3-methylcyclohexyl)oxy-2-pyridinyl]methanamine
CID 62290404
(6-cycloheptyloxy-2-pyridinyl)methanol
CID 62239714
N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62290331
N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62321870
N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390
N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298332
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-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 102740583

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine (CID 62287510) is N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine is c1cc(CNC2CC2)nc(OC2CCC2)c1.
What is the InChIKey of N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine?
The InChIKey is RKLQZKPBZSFLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-11(9-14-10-7-8-10)15-13(6-1)16-12-4-2-5-12/h1,3,6,10,12,14H,2,4-5,7-9H2.
What are the key properties of N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine?
N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine has a molecular weight of 218.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 62287510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).