10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C15H20N2 — CID 84625593

IUPAC10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCc1c2n(c3ccc(C(C)C)cc13)CCNC2
InChIInChI=1S/C15H20N2/c1-10(2)12-4-5-14-13(8-12)11(3)15-9-16-6-7-17(14)15/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyLDQBWHZKMFVIQA-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.18
Rot. Bonds1

About 10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 84625593) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID84625593
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCc1c2n(c3ccc(C(C)C)cc13)CCNC2
InChIInChI=1S/C15H20N2/c1-10(2)12-4-5-14-13(8-12)11(3)15-9-16-6-7-17(14)15/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyLDQBWHZKMFVIQA-UHFFFAOYSA-N
XLogP3.18
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 84625593) is 10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is Cc1c2n(c3ccc(C(C)C)cc13)CCNC2.
What is the InChIKey of 10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is LDQBWHZKMFVIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10(2)12-4-5-14-13(8-12)11(3)15-9-16-6-7-17(14)15/h4-5,8,10,16H,6-7,9H2,1-3H3.
What are the key properties of 10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 228.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 84625593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).