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

C16H33N3 — CID 79945197

IUPACN-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
SMILESCCC(CNC(C)(C)C)N1CC2CCCN2CC1C
InChIInChI=1S/C16H33N3/c1-6-14(10-17-16(3,4)5)19-12-15-8-7-9-18(15)11-13(19)2/h13-15,17H,6-12H2,1-5H3
InChIKeyZIRCJSOBOFXZDJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds4

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

N-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine (PubChem CID 79945197) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
PubChem CID79945197
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
SMILESCCC(CNC(C)(C)C)N1CC2CCCN2CC1C
InChIInChI=1S/C16H33N3/c1-6-14(10-17-16(3,4)5)19-12-15-8-7-9-18(15)11-13(19)2/h13-15,17H,6-12H2,1-5H3
InChIKeyZIRCJSOBOFXZDJ-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(dicyclopropylmethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939998
3-methyl-2-(2-methylpentan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939609
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-pentan-3-yl-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931014
3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
CID 104711092
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
3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926568
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
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 83038989
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
3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentan-1-ol
CID 104840488
2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 79934789

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine (CID 79945197) is N-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine is CCC(CNC(C)(C)C)N1CC2CCCN2CC1C.
What is the InChIKey of N-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine?
The InChIKey is ZIRCJSOBOFXZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-6-14(10-17-16(3,4)5)19-12-15-8-7-9-18(15)11-13(19)2/h13-15,17H,6-12H2,1-5H3.
What are the key properties of N-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine?
N-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine is sourced from PubChem (CID 79945197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).