2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine

C16H33N3 — CID 79945409

IUPAC2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)N1CC2CCCN2CC1C
InChIInChI=1S/C16H33N3/c1-5-8-17-10-13(2)15(4)19-12-16-7-6-9-18(16)11-14(19)3/h13-17H,5-12H2,1-4H3
InChIKeyJLFMSQCIGMGWGX-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds6

About 2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine

2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine (PubChem CID 79945409) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine
PubChem CID79945409
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)N1CC2CCCN2CC1C
InChIInChI=1S/C16H33N3/c1-5-8-17-10-13(2)15(4)19-12-16-7-6-9-18(16)11-14(19)3/h13-17H,5-12H2,1-4H3
InChIKeyJLFMSQCIGMGWGX-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

Analyze 2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine with MolForge

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Related Compounds

3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926568
N-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-amine
CID 79945896
2-methyl-3-(2-methylazepan-1-yl)-N-propylbutan-1-amine
CID 79409081
2-methyl-N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]propan-1-amine
CID 79945546
N-ethyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79924535
4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-propylpentan-2-amine
CID 79931477
3-methyl-2-(2-methylpentan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939609
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-prop-2-ynylpropan-1-amine
CID 79945919
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butyl]cyclopropanamine
CID 79946109
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 79925513
3-(2-ethylazepan-1-yl)-2-methyl-N-propylbutan-1-amine
CID 113441982
N-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentan-2-amine
CID 79938339

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine (CID 79945409) is 2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine is CCCNCC(C)C(C)N1CC2CCCN2CC1C.
What is the InChIKey of 2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine?
The InChIKey is JLFMSQCIGMGWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-8-17-10-13(2)15(4)19-12-16-7-6-9-18(16)11-14(19)3/h13-17H,5-12H2,1-4H3.
What are the key properties of 2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine?
2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 79945409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).