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

C14H28N2O — CID 114413418

IUPACN-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
SMILESCOCC1=CCN(C(C)CNCC(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)9-15-10-13(3)16-7-5-14(6-8-16)11-17-4/h5,12-13,15H,6-11H2,1-4H3
InChIKeyHDUZAMVTSMFHPM-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.90
Rot. Bonds7

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

N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine (PubChem CID 114413418) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
PubChem CID114413418
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
SMILESCOCC1=CCN(C(C)CNCC(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)9-15-10-13(3)16-7-5-14(6-8-16)11-17-4/h5,12-13,15H,6-11H2,1-4H3
InChIKeyHDUZAMVTSMFHPM-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]ethanamine
CID 114411090
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
CID 20756947
(3R)-4-(methoxymethyl)-N-prop-2-enoxy-1,2,3,6-tetrahydropyridin-3-amine
CID 132264900
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
Methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 163951235
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716253
4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 102776256
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine
CID 103227335
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 103227336
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-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine (CID 114413418) is N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine is COCC1=CCN(C(C)CNCC(C)C)CC1.
What is the InChIKey of N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine?
The InChIKey is HDUZAMVTSMFHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)9-15-10-13(3)16-7-5-14(6-8-16)11-17-4/h5,12-13,15H,6-11H2,1-4H3.
What are the key properties of N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine?
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114413418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).