N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine

C15H24N2O — CID 114199199

IUPACN-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCC(C)(C)OCc1ncccc1CNC1CC1
InChIInChI=1S/C15H24N2O/c1-4-15(2,3)18-11-14-12(6-5-9-16-14)10-17-13-7-8-13/h5-6,9,13,17H,4,7-8,10-11H2,1-3H3
InChIKeyZJQNYMXXFVLWRN-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.04
Rot. Bonds7

About N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine

N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 114199199) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID114199199
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCC(C)(C)OCc1ncccc1CNC1CC1
InChIInChI=1S/C15H24N2O/c1-4-15(2,3)18-11-14-12(6-5-9-16-14)10-17-13-7-8-13/h5-6,9,13,17H,4,7-8,10-11H2,1-3H3
InChIKeyZJQNYMXXFVLWRN-UHFFFAOYSA-N
XLogP3.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylbutan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62456997
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291000
N-[[2-[[methyl(2-methylpropyl)amino]methyl]-3-pyridinyl]methyl]cyclopropanamine
CID 114198995
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 82733670
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82733889
N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 115757282
N-[(3-ethyl-2-pyridinyl)methyl]oxetan-3-amine
CID 82732740

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine (CID 114199199) is N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine is CCC(C)(C)OCc1ncccc1CNC1CC1.
What is the InChIKey of N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ZJQNYMXXFVLWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-15(2,3)18-11-14-12(6-5-9-16-14)10-17-13-7-8-13/h5-6,9,13,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 248.37 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylbutan-2-yloxymethyl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114199199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).