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

C7H14N2O — CID 20756949

IUPAC(1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanamine
SMILESCN1CC=C(OCN)CC1
InChIInChI=1S/C7H14N2O/c1-9-4-2-7(3-5-9)10-6-8/h2H,3-6,8H2,1H3
InChIKeyJCVVBBNRUFILBM-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.14
Rot. Bonds2

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

(1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanamine (PubChem CID 20756949) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanamine.

Molecular Properties

Compound Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanamine
PubChem CID20756949
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanamine
SMILESCN1CC=C(OCN)CC1
InChIInChI=1S/C7H14N2O/c1-9-4-2-7(3-5-9)10-6-8/h2H,3-6,8H2,1H3
InChIKeyJCVVBBNRUFILBM-UHFFFAOYSA-N
XLogP0.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 5314653
CID 5314653
CID 20756955
CID 20756955
CID 53662278
CID 53662278
CID 60070804
CID 60070804
CID 152524993
CID 152524993

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanamine?
The IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanamine (CID 20756949) is (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanamine.
What is the SMILES notation for (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanamine?
The canonical SMILES for (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanamine is CN1CC=C(OCN)CC1.
What is the InChIKey of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanamine?
The InChIKey is JCVVBBNRUFILBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-4-2-7(3-5-9)10-6-8/h2H,3-6,8H2,1H3.
What are the key properties of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanamine?
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanamine has a molecular weight of 142.20 g/mol, XLogP of 0.14, 2 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)oxymethanamine is sourced from PubChem (CID 20756949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).