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

C17H35N3 — CID 79945731

IUPAC2-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
SMILESCCC(C)(CNC(C)C)CN1CC2CCCN2CC1C
InChIInChI=1S/C17H35N3/c1-6-17(5,12-18-14(2)3)13-20-11-16-8-7-9-19(16)10-15(20)4/h14-16,18H,6-13H2,1-5H3
InChIKeyOPQKDSZHDHXVAN-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds6

About 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

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 (PubChem CID 79945731) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID79945731
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-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
SMILESCCC(C)(CNC(C)C)CN1CC2CCCN2CC1C
InChIInChI=1S/C17H35N3/c1-6-17(5,12-18-14(2)3)13-20-11-16-8-7-9-19(16)10-15(20)4/h14-16,18H,6-13H2,1-5H3
InChIKeyOPQKDSZHDHXVAN-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 55216025
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
3,3-dimethyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-2-amine
CID 79945732
2-(2-methoxy-2-methylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 104567408
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
3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]pentan-3-ol
CID 115919455
2-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62257511
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
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylhexan-1-amine
CID 79945340
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)(CNC(C)C)CN1CC2CCCN2CC1C.
What is the InChIKey of 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?
The InChIKey is OPQKDSZHDHXVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-6-17(5,12-18-14(2)3)13-20-11-16-8-7-9-19(16)10-15(20)4/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 281.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 79945731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).