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

C13H26N2O — CID 114410914

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine
SMILESCCCC(C)(N)CN1CC=C(COC)CC1
InChIInChI=1S/C13H26N2O/c1-4-7-13(2,14)11-15-8-5-12(6-9-15)10-16-3/h5H,4,6-11,14H2,1-3H3
InChIKeyGZMQQZKERYWZIO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.78
Rot. Bonds6

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

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine (PubChem CID 114410914) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine
PubChem CID114410914
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine
SMILESCCCC(C)(N)CN1CC=C(COC)CC1
InChIInChI=1S/C13H26N2O/c1-4-7-13(2,14)11-15-8-5-12(6-9-15)10-16-3/h5H,4,6-11,14H2,1-3H3
InChIKeyGZMQQZKERYWZIO-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine (CID 114410914) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine is CCCC(C)(N)CN1CC=C(COC)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine?
The InChIKey is GZMQQZKERYWZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-7-13(2,14)11-15-8-5-12(6-9-15)10-16-3/h5H,4,6-11,14H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-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 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine is sourced from PubChem (CID 114410914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).