N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine

C12H25N3 — CID 167596054

IUPACN,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine
SMILESCC(C)N1CCN2CCC(N(C)C)C2C1
InChIInChI=1S/C12H25N3/c1-10(2)15-8-7-14-6-5-11(13(3)4)12(14)9-15/h10-12H,5-9H2,1-4H3
InChIKeyCXULBRRITQOJMJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.71
Rot. Bonds2

About N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine

N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine (PubChem CID 167596054) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine
PubChem CID167596054
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine
SMILESCC(C)N1CCN2CCC(N(C)C)C2C1
InChIInChI=1S/C12H25N3/c1-10(2)15-8-7-14-6-5-11(13(3)4)12(14)9-15/h10-12H,5-9H2,1-4H3
InChIKeyCXULBRRITQOJMJ-UHFFFAOYSA-N
XLogP0.71
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine?
The IUPAC name of N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine (CID 167596054) is N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine is CC(C)N1CCN2CCC(N(C)C)C2C1.
What is the InChIKey of N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine?
The InChIKey is CXULBRRITQOJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)15-8-7-14-6-5-11(13(3)4)12(14)9-15/h10-12H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine?
N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine has a molecular weight of 211.35 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 167596054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).