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

C17H27N3O — CID 114412857

IUPACN-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOCC1=CCN(c2cccc(CNC(C)(C)C)n2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)18-12-15-6-5-7-16(19-15)20-10-8-14(9-11-20)13-21-4/h5-8,18H,9-13H2,1-4H3
InChIKeyHMWOCYJJZASBEE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.75
Rot. Bonds5

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

N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 114412857) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID114412857
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOCC1=CCN(c2cccc(CNC(C)(C)C)n2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)18-12-15-6-5-7-16(19-15)20-10-8-14(9-11-20)13-21-4/h5-8,18H,9-13H2,1-4H3
InChIKeyHMWOCYJJZASBEE-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

Piperazine, 1-(6-methyl-2-pyridinyl)-, dihydrochloride
CID 3078152
Piperazine, 1-(6-hexyl-2-pyridinyl)-
CID 3078157
4-(Methoxymethyl)-6-methyl-2-(1-piperazinyl)nicotinonitrile
CID 926201
(2R)-3-methyl-2-[(6-piperidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312518
(2R)-3-methyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312570
(6-(Morpholin-4-yl)pyridin-2-yl)methanamine
CID 18525737
(R)-3-methyl-1-(6-methylpyridin-2-yl)piperazine
CID 45115807
1-(6-Butyl-2-pyridinyl)piperazine
CID 14570955
1-(6-Pentyl-2-pyridinyl)piperazine
CID 14570957
1-(6-Heptyl-2-pyridinyl)piperazine
CID 14570959
1-(6-Octyl-2-pyridinyl)piperazine
CID 14570961
1-(6-Nonyl-2-pyridinyl)piperazine
CID 14570963

Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 114412857) is N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine is COCC1=CCN(c2cccc(CNC(C)(C)C)n2)CC1.
What is the InChIKey of N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is HMWOCYJJZASBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,3)18-12-15-6-5-7-16(19-15)20-10-8-14(9-11-20)13-21-4/h5-8,18H,9-13H2,1-4H3.
What are the key properties of N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114412857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).