(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine

C8H16N2O — CID 20756947

IUPAC(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
SMILESCN1CC=C(COCN)CC1
InChIInChI=1S/C8H16N2O/c1-10-4-2-8(3-5-10)6-11-7-9/h2H,3-7,9H2,1H3
InChIKeyKFKZTSVECOZZBL-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.18
Rot. Bonds3

About (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine

(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine (PubChem CID 20756947) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine.

Molecular Properties

Compound Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
PubChem CID20756947
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
SMILESCN1CC=C(COCN)CC1
InChIInChI=1S/C8H16N2O/c1-10-4-2-8(3-5-10)6-11-7-9/h2H,3-7,9H2,1H3
InChIKeyKFKZTSVECOZZBL-UHFFFAOYSA-N
XLogP0.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine?
The IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine (CID 20756947) is (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine.
What is the SMILES notation for (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine?
The canonical SMILES for (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine is CN1CC=C(COCN)CC1.
What is the InChIKey of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine?
The InChIKey is KFKZTSVECOZZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-4-2-8(3-5-10)6-11-7-9/h2H,3-7,9H2,1H3.
What are the key properties of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine?
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine has a molecular weight of 156.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine is sourced from PubChem (CID 20756947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).