(E)-N-(pyridin-2-ylmethoxy)propan-1-imine

C9H12N2O — CID 88538998

IUPAC(E)-N-(pyridin-2-ylmethoxy)propan-1-imine
SMILESCC/C=N/OCc1ccccn1
InChIInChI=1S/C9H12N2O/c1-2-6-11-12-8-9-5-3-4-7-10-9/h3-7H,2,8H2,1H3/b11-6+
InChIKeyMTDAXBUMMLRHBK-IZZDOVSWSA-N
MW164.21 g/mol
LogP1.99
Rot. Bonds4

About (E)-N-(pyridin-2-ylmethoxy)propan-1-imine

(E)-N-(pyridin-2-ylmethoxy)propan-1-imine (PubChem CID 88538998) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (E)-N-(pyridin-2-ylmethoxy)propan-1-imine.

Molecular Properties

Compound Name(E)-N-(pyridin-2-ylmethoxy)propan-1-imine
PubChem CID88538998
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(E)-N-(pyridin-2-ylmethoxy)propan-1-imine
SMILESCC/C=N/OCc1ccccn1
InChIInChI=1S/C9H12N2O/c1-2-6-11-12-8-9-5-3-4-7-10-9/h3-7H,2,8H2,1H3/b11-6+
InChIKeyMTDAXBUMMLRHBK-IZZDOVSWSA-N
XLogP1.99
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine
CID 91037930
N-(pyridin-2-ylmethoxy)cyclobutanimine
CID 130676027
pyridin-2-ylmethyl hypoiodite
CID 67567753
1-[3-(4-methyl-1,2,5-thiadiazol-3-yl)-2-pyridinyl]-N-(pyridin-2-ylmethoxy)methanimine
CID 73411085
N-(pyridin-2-ylmethoxy)methanamine
CID 58351102
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
2-[(3-ethylcyclobutyl)oxymethyl]pyridine
CID 170582773
2-(1,1-difluoroethoxymethyl)pyridine
CID 68641957
N-propyl-2-pyridin-2-ylethanimine
CID 66967042
acetylene;2-ethylpyridine
CID 145358493
ethane;2-ethylpyridine;methane
CID 142439308

Frequently Asked Questions

What is the IUPAC name of (E)-N-(pyridin-2-ylmethoxy)propan-1-imine?
The IUPAC name of (E)-N-(pyridin-2-ylmethoxy)propan-1-imine (CID 88538998) is (E)-N-(pyridin-2-ylmethoxy)propan-1-imine.
What is the SMILES notation for (E)-N-(pyridin-2-ylmethoxy)propan-1-imine?
The canonical SMILES for (E)-N-(pyridin-2-ylmethoxy)propan-1-imine is CC/C=N/OCc1ccccn1.
What is the InChIKey of (E)-N-(pyridin-2-ylmethoxy)propan-1-imine?
The InChIKey is MTDAXBUMMLRHBK-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-6-11-12-8-9-5-3-4-7-10-9/h3-7H,2,8H2,1H3/b11-6+.
What are the key properties of (E)-N-(pyridin-2-ylmethoxy)propan-1-imine?
(E)-N-(pyridin-2-ylmethoxy)propan-1-imine has a molecular weight of 164.21 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(pyridin-2-ylmethoxy)propan-1-imine is sourced from PubChem (CID 88538998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).