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

C14H28N2O — CID 114413561

IUPAC6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine
SMILESCNCCCCCCN1CC=C(COC)CC1
InChIInChI=1S/C14H28N2O/c1-15-9-5-3-4-6-10-16-11-7-14(8-12-16)13-17-2/h7,15H,3-6,8-13H2,1-2H3
InChIKeyQAHBHGLDWMFITB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds9

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

6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine (PubChem CID 114413561) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine
PubChem CID114413561
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine
SMILESCNCCCCCCN1CC=C(COC)CC1
InChIInChI=1S/C14H28N2O/c1-15-9-5-3-4-6-10-16-11-7-14(8-12-16)13-17-2/h7,15H,3-6,8-13H2,1-2H3
InChIKeyQAHBHGLDWMFITB-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine?
The IUPAC name of 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine (CID 114413561) is 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine.
What is the SMILES notation for 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine?
The canonical SMILES for 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine is CNCCCCCCN1CC=C(COC)CC1.
What is the InChIKey of 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine?
The InChIKey is QAHBHGLDWMFITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-15-9-5-3-4-6-10-16-11-7-14(8-12-16)13-17-2/h7,15H,3-6,8-13H2,1-2H3.
What are the key properties of 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine?
6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine is sourced from PubChem (CID 114413561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).