7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine

C13H16N2 — CID 22462463

IUPAC7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine
SMILESCc1ccc2c(c1)N=C(N)C1CCCC21
InChIInChI=1S/C13H16N2/c1-8-5-6-10-9-3-2-4-11(9)13(14)15-12(10)7-8/h5-7,9,11H,2-4H2,1H3,(H2,14,15)
InChIKeyCROWINHTEQAOOL-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.88
Rot. Bonds

About 7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine

7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine (PubChem CID 22462463) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine.

Molecular Properties

Compound Name7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine
PubChem CID22462463
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine
SMILESCc1ccc2c(c1)N=C(N)C1CCCC21
InChIInChI=1S/C13H16N2/c1-8-5-6-10-9-3-2-4-11(9)13(14)15-12(10)7-8/h5-7,9,11H,2-4H2,1H3,(H2,14,15)
InChIKeyCROWINHTEQAOOL-UHFFFAOYSA-N
XLogP2.88
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine?
The IUPAC name of 7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine (CID 22462463) is 7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine.
What is the SMILES notation for 7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine?
The canonical SMILES for 7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine is Cc1ccc2c(c1)N=C(N)C1CCCC21.
What is the InChIKey of 7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine?
The InChIKey is CROWINHTEQAOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-8-5-6-10-9-3-2-4-11(9)13(14)15-12(10)7-8/h5-7,9,11H,2-4H2,1H3,(H2,14,15).
What are the key properties of 7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine?
7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine has a molecular weight of 200.29 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine is sourced from PubChem (CID 22462463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).