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

C15H30N2O — CID 114413409

IUPAC3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)CN1CC=C(COC)CC1
InChIInChI=1S/C15H30N2O/c1-5-8-16-12-15(2,3)13-17-9-6-14(7-10-17)11-18-4/h6,16H,5,7-13H2,1-4H3
InChIKeyTZUXFZAAOWEXBJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.29
Rot. Bonds8

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

3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 114413409) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID114413409
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)CN1CC=C(COC)CC1
InChIInChI=1S/C15H30N2O/c1-5-8-16-12-15(2,3)13-17-9-6-14(7-10-17)11-18-4/h6,16H,5,7-13H2,1-4H3
InChIKeyTZUXFZAAOWEXBJ-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.29
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 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine (CID 114413409) is 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine is CCCNCC(C)(C)CN1CC=C(COC)CC1.
What is the InChIKey of 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is TZUXFZAAOWEXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-8-16-12-15(2,3)13-17-9-6-14(7-10-17)11-18-4/h6,16H,5,7-13H2,1-4H3.
What are the key properties of 3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine?
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.29, 8 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]-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 114413409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).