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

C16H31N3O — CID 79946020

IUPACN-[[3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CC3CCCN3CC2C)CCOC1
InChIInChI=1S/C16H31N3O/c1-3-17-11-16(6-8-20-13-16)12-19-10-15-5-4-7-18(15)9-14(19)2/h14-15,17H,3-13H2,1-2H3
InChIKeyNSGOXSOSAFEVOO-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.17
Rot. Bonds5

About 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

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 (PubChem CID 79946020) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID79946020
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[[3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CC3CCCN3CC2C)CCOC1
InChIInChI=1S/C16H31N3O/c1-3-17-11-16(6-8-20-13-16)12-19-10-15-5-4-7-18(15)9-14(19)2/h14-15,17H,3-13H2,1-2H3
InChIKeyNSGOXSOSAFEVOO-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
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
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62263729
[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
[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
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390224
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62258423
2-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943596
N-[[3-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 55243401
2-[[1-(bromomethyl)cyclobutyl]methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935200
2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944035

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNCC1(CN2CC3CCCN3CC2C)CCOC1.
What is the InChIKey of 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?
The InChIKey is NSGOXSOSAFEVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-17-11-16(6-8-20-13-16)12-19-10-15-5-4-7-18(15)9-14(19)2/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 281.44 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 79946020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).