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

C15H30N2O2 — CID 103227336

IUPACN-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
SMILESCOCC1=CCN(C(CNCC(C)C)COC)CC1
InChIInChI=1S/C15H30N2O2/c1-13(2)9-16-10-15(12-19-4)17-7-5-14(6-8-17)11-18-3/h5,13,15-16H,6-12H2,1-4H3
InChIKeyTZHFWSXZMSMEGL-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.53
Rot. Bonds9

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

N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine (PubChem CID 103227336) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
PubChem CID103227336
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
SMILESCOCC1=CCN(C(CNCC(C)C)COC)CC1
InChIInChI=1S/C15H30N2O2/c1-13(2)9-16-10-15(12-19-4)17-7-5-14(6-8-17)11-18-3/h5,13,15-16H,6-12H2,1-4H3
InChIKeyTZHFWSXZMSMEGL-UHFFFAOYSA-N
XLogP1.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-(methoxymethyl)-N-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine
CID 132264900
2-methoxy-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 103152788
N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine
CID 103227329
3-methoxy-N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 103227330
N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 103227331
3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
CID 103227332
3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine
CID 103227333
3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 103227334
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine
CID 103227335
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpropan-1-amine
CID 103227337
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-2-amine
CID 103227338
N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227339

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine (CID 103227336) is N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine is COCC1=CCN(C(CNCC(C)C)COC)CC1.
What is the InChIKey of N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is TZHFWSXZMSMEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13(2)9-16-10-15(12-19-4)17-7-5-14(6-8-17)11-18-3/h5,13,15-16H,6-12H2,1-4H3.
What are the key properties of N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine?
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103227336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).