8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine

C13H18N2 — CID 105454768

IUPAC8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine
SMILESCc1ccc2c(c1)N1CCC(N)C1CC2
InChIInChI=1S/C13H18N2/c1-9-2-3-10-4-5-12-11(14)6-7-15(12)13(10)8-9/h2-3,8,11-12H,4-7,14H2,1H3
InChIKeyHXJSTRUJDRKKSC-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.85
Rot. Bonds

About 8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine

8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine (PubChem CID 105454768) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine.

Molecular Properties

Compound Name8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine
PubChem CID105454768
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine
SMILESCc1ccc2c(c1)N1CCC(N)C1CC2
InChIInChI=1S/C13H18N2/c1-9-2-3-10-4-5-12-11(14)6-7-15(12)13(10)8-9/h2-3,8,11-12H,4-7,14H2,1H3
InChIKeyHXJSTRUJDRKKSC-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine?
The IUPAC name of 8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine (CID 105454768) is 8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine.
What is the SMILES notation for 8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine?
The canonical SMILES for 8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine is Cc1ccc2c(c1)N1CCC(N)C1CC2.
What is the InChIKey of 8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine?
The InChIKey is HXJSTRUJDRKKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-2-3-10-4-5-12-11(14)6-7-15(12)13(10)8-9/h2-3,8,11-12H,4-7,14H2,1H3.
What are the key properties of 8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine?
8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine has a molecular weight of 202.30 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-3-amine is sourced from PubChem (CID 105454768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).