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

C16H33N3 — CID 79924593

IUPACN,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine
SMILESCCC(C)(CNC)CN1CC2CCCCN2CC1C
InChIInChI=1S/C16H33N3/c1-5-16(3,12-17-4)13-19-11-15-8-6-7-9-18(15)10-14(19)2/h14-15,17H,5-13H2,1-4H3
InChIKeyFPCHKXSKJJVROA-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds5

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

N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine (PubChem CID 79924593) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine
PubChem CID79924593
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine
SMILESCCC(C)(CNC)CN1CC2CCCCN2CC1C
InChIInChI=1S/C16H33N3/c1-5-16(3,12-17-4)13-19-11-15-8-6-7-9-18(15)10-14(19)2/h14-15,17H,5-13H2,1-4H3
InChIKeyFPCHKXSKJJVROA-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine with MolForge

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Related Compounds

2-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 79945731
N,2-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79943400
N-[2-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]pentyl]cyclopropanamine
CID 79933854
2-methyl-2-(methylamino)-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanamide
CID 79935496
N-ethyl-2-methyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79943170
2-(2-methoxy-2-methylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 104567408
3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]pentan-3-ol
CID 115919455
1-amino-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 79924930
N-[2-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]butyl]cyclopropanamine
CID 79933628
2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)propan-1-ol
CID 79925008
methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate
CID 79915866
2-[2-(bromomethyl)-2-ethylbutyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943358

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine?
The IUPAC name of N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine (CID 79924593) is N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine is CCC(C)(CNC)CN1CC2CCCCN2CC1C.
What is the InChIKey of N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine?
The InChIKey is FPCHKXSKJJVROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-16(3,12-17-4)13-19-11-15-8-6-7-9-18(15)10-14(19)2/h14-15,17H,5-13H2,1-4H3.
What are the key properties of N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine?
N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 79924593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).