N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine

C13H18N2O — CID 105075090

IUPACN-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)c(OCC2CC2)cn1
InChIInChI=1S/C13H18N2O/c1-2-10(1)9-16-13-8-14-6-5-11(13)7-15-12-3-4-12/h5-6,8,10,12,15H,1-4,7,9H2
InChIKeyWBYJQIRLTFXEIR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.12
Rot. Bonds6

About N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine

N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105075090) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105075090
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)c(OCC2CC2)cn1
InChIInChI=1S/C13H18N2O/c1-2-10(1)9-16-13-8-14-6-5-11(13)7-15-12-3-4-12/h5-6,8,10,12,15H,1-4,7,9H2
InChIKeyWBYJQIRLTFXEIR-UHFFFAOYSA-N
XLogP2.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
CID 105074850
N-[[3-[2-(dimethylamino)-2-methylpropoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 105075823
N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075597
[3-(cyclopentylmethoxy)-4-pyridinyl]methanol
CID 105067194
4-bromo-3-(cyclopropylmethoxy)pyridine
CID 90156558
3-(cyclopropylmethoxy)-4-methoxypyridine
CID 150318193
N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075410
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789
N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075531
N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075129
N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253710
N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine (CID 105075090) is N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine is c1cc(CNC2CC2)c(OCC2CC2)cn1.
What is the InChIKey of N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is WBYJQIRLTFXEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-10(1)9-16-13-8-14-6-5-11(13)7-15-12-3-4-12/h5-6,8,10,12,15H,1-4,7,9H2.
What are the key properties of N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 218.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105075090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).