N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine

C17H33N3O — CID 79917830

IUPACN-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine
SMILESCNCC1(CN2CC3CCCCN3CC2C)CCCOC1
InChIInChI=1S/C17H33N3O/c1-15-10-19-8-4-3-6-16(19)11-20(15)13-17(12-18-2)7-5-9-21-14-17/h15-16,18H,3-14H2,1-2H3
InChIKeyULOSKRCXNXEPLR-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.56
Rot. Bonds4

About N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine

N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine (PubChem CID 79917830) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine
PubChem CID79917830
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine
SMILESCNCC1(CN2CC3CCCCN3CC2C)CCCOC1
InChIInChI=1S/C17H33N3O/c1-15-10-19-8-4-3-6-16(19)11-20(15)13-17(12-18-2)7-5-9-21-14-17/h15-16,18H,3-14H2,1-2H3
InChIKeyULOSKRCXNXEPLR-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 79946020
[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanol
CID 79924665
N-[[1-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentyl]methyl]ethanamine
CID 79916334
[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine
CID 79925190
1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 63739595
2-[[1-(bromomethyl)cyclobutyl]methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935200
1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 104691941
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740313
N-[[1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexyl]methyl]ethanamine
CID 79933967
1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 63740106
2-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943596
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741518

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine (CID 79917830) is N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine is CNCC1(CN2CC3CCCCN3CC2C)CCCOC1.
What is the InChIKey of N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine?
The InChIKey is ULOSKRCXNXEPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15-10-19-8-4-3-6-16(19)11-20(15)13-17(12-18-2)7-5-9-21-14-17/h15-16,18H,3-14H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine?
N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine has a molecular weight of 295.47 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine is sourced from PubChem (CID 79917830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).