N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine

C15H24N4O — CID 107380951

IUPACN-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine
SMILESCOCC1=CCN(c2cnc(CNC(C)C)cn2)CC1
InChIInChI=1S/C15H24N4O/c1-12(2)16-8-14-9-18-15(10-17-14)19-6-4-13(5-7-19)11-20-3/h4,9-10,12,16H,5-8,11H2,1-3H3
InChIKeyCUGBKQULUHQIGO-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds6

About N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine

N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 107380951) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine
PubChem CID107380951
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine
SMILESCOCC1=CCN(c2cnc(CNC(C)C)cn2)CC1
InChIInChI=1S/C15H24N4O/c1-12(2)16-8-14-9-18-15(10-17-14)19-6-4-13(5-7-19)11-20-3/h4,9-10,12,16H,5-8,11H2,1-3H3
InChIKeyCUGBKQULUHQIGO-UHFFFAOYSA-N
XLogP1.76
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine
CID 114412860
N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]propan-2-amine
CID 114412766
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-2-amine
CID 107378812
N-[[5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 114412801
N-[[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 114413535
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107379250
N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 114413435
N-[[5-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107378954
N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107380419
N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 114412848
N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114412857
N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107379535

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine (CID 107380951) is N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine is COCC1=CCN(c2cnc(CNC(C)C)cn2)CC1.
What is the InChIKey of N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is CUGBKQULUHQIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)16-8-14-9-18-15(10-17-14)19-6-4-13(5-7-19)11-20-3/h4,9-10,12,16H,5-8,11H2,1-3H3.
What are the key properties of N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine?
N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 276.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107380951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).