2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile

C12H15N3O — CID 79776192

IUPAC2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile
SMILESN#CCC1(COc2ccc(CN)nc2)CC1
InChIInChI=1S/C12H15N3O/c13-6-5-12(3-4-12)9-16-11-2-1-10(7-14)15-8-11/h1-2,8H,3-5,7,9,14H2
InChIKeyVKKBHLVLEHMTGV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.61
Rot. Bonds5

About 2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile

2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile (PubChem CID 79776192) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile
PubChem CID79776192
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile
SMILESN#CCC1(COc2ccc(CN)nc2)CC1
InChIInChI=1S/C12H15N3O/c13-6-5-12(3-4-12)9-16-11-2-1-10(7-14)15-8-11/h1-2,8H,3-5,7,9,14H2
InChIKeyVKKBHLVLEHMTGV-UHFFFAOYSA-N
XLogP1.61
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile (CID 79776192) is 2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile is N#CCC1(COc2ccc(CN)nc2)CC1.
What is the InChIKey of 2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile?
The InChIKey is VKKBHLVLEHMTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-6-5-12(3-4-12)9-16-11-2-1-10(7-14)15-8-11/h1-2,8H,3-5,7,9,14H2.
What are the key properties of 2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile?
2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 79776192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).