N-(pyridin-4-ylmethoxy)methanamine

C7H10N2O — CID 87262654

IUPACN-(pyridin-4-ylmethoxy)methanamine
SMILESCNOCc1ccncc1
InChIInChI=1S/C7H10N2O/c1-8-10-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3
InChIKeyAGULZTYLMHOJIF-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.73
Rot. Bonds3

About N-(pyridin-4-ylmethoxy)methanamine

N-(pyridin-4-ylmethoxy)methanamine (PubChem CID 87262654) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is N-(pyridin-4-ylmethoxy)methanamine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethoxy)methanamine
PubChem CID87262654
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameN-(pyridin-4-ylmethoxy)methanamine
SMILESCNOCc1ccncc1
InChIInChI=1S/C7H10N2O/c1-8-10-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3
InChIKeyAGULZTYLMHOJIF-UHFFFAOYSA-N
XLogP0.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(pyridin-4-ylmethoxy)silane
CID 45117506
N-methyl-2-(pyridin-4-ylmethoxy)propan-1-amine
CID 62335696
4-(propan-2-yloxymethyl)pyridine
CID 14442204
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
O-(pyridin-4-ylmethyl) ethanethioate
CID 75412608
4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine
CID 59757640
N-methylmethanamine;2-pyridin-4-ylacetaldehyde
CID 144882029
2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol
CID 143482158
2-methyl-2-(pyridin-4-ylmethoxy)propan-1-amine
CID 65053502
N-[(4-nonoxyphenyl)methoxy]methanamine
CID 22967514
methyl 2-(pyridin-4-ylmethoxy)propanoate
CID 83213951
pyridin-4-ylmethyl N-tert-butylcarbamate
CID 59402004

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethoxy)methanamine?
The IUPAC name of N-(pyridin-4-ylmethoxy)methanamine (CID 87262654) is N-(pyridin-4-ylmethoxy)methanamine.
What is the SMILES notation for N-(pyridin-4-ylmethoxy)methanamine?
The canonical SMILES for N-(pyridin-4-ylmethoxy)methanamine is CNOCc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethoxy)methanamine?
The InChIKey is AGULZTYLMHOJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-8-10-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3.
What are the key properties of N-(pyridin-4-ylmethoxy)methanamine?
N-(pyridin-4-ylmethoxy)methanamine has a molecular weight of 138.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethoxy)methanamine is sourced from PubChem (CID 87262654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).