N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine

C10H18N2O — CID 131155496

IUPACN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine
SMILESCN1CC=C(CNC2COC2)CC1
InChIInChI=1S/C10H18N2O/c1-12-4-2-9(3-5-12)6-11-10-7-13-8-10/h2,10-11H,3-8H2,1H3
InChIKeyRACYXBHNOKXZIN-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.24
Rot. Bonds3

About N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine

N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine (PubChem CID 131155496) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine
PubChem CID131155496
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine
SMILESCN1CC=C(CNC2COC2)CC1
InChIInChI=1S/C10H18N2O/c1-12-4-2-9(3-5-12)6-11-10-7-13-8-10/h2,10-11H,3-8H2,1H3
InChIKeyRACYXBHNOKXZIN-UHFFFAOYSA-N
XLogP0.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine?
The IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine (CID 131155496) is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine.
What is the SMILES notation for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine?
The canonical SMILES for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine is CN1CC=C(CNC2COC2)CC1.
What is the InChIKey of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine?
The InChIKey is RACYXBHNOKXZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12-4-2-9(3-5-12)6-11-10-7-13-8-10/h2,10-11H,3-8H2,1H3.
What are the key properties of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine?
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine has a molecular weight of 182.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine is sourced from PubChem (CID 131155496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).