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

C13H26N2O — CID 114410977

IUPAC3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CC=C(COC)CC1
InChIInChI=1S/C13H26N2O/c1-4-13(14,5-2)11-15-8-6-12(7-9-15)10-16-3/h6H,4-5,7-11,14H2,1-3H3
InChIKeyOYOHOPIQPBKYRX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.78
Rot. Bonds6

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

3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine (PubChem CID 114410977) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine
PubChem CID114410977
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine
SMILESCCC(N)(CC)CN1CC=C(COC)CC1
InChIInChI=1S/C13H26N2O/c1-4-13(14,5-2)11-15-8-6-12(7-9-15)10-16-3/h6H,4-5,7-11,14H2,1-3H3
InChIKeyOYOHOPIQPBKYRX-UHFFFAOYSA-N
XLogP1.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine?
The IUPAC name of 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine (CID 114410977) is 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine.
What is the SMILES notation for 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine?
The canonical SMILES for 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine is CCC(N)(CC)CN1CC=C(COC)CC1.
What is the InChIKey of 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine?
The InChIKey is OYOHOPIQPBKYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(14,5-2)11-15-8-6-12(7-9-15)10-16-3/h6H,4-5,7-11,14H2,1-3H3.
What are the key properties of 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine?
3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine is sourced from PubChem (CID 114410977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).