2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine

C18H24N2 — CID 63481263

IUPAC2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine
SMILESCNc1cc(C(C)(C)C)nc2c3c(ccc12)CCCC3
InChIInChI=1S/C18H24N2/c1-18(2,3)16-11-15(19-4)14-10-9-12-7-5-6-8-13(12)17(14)20-16/h9-11H,5-8H2,1-4H3,(H,19,20)
InChIKeyUIXYEYXCCHRBMG-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.45
Rot. Bonds1

About 2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine

2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine (PubChem CID 63481263) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine
PubChem CID63481263
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine
SMILESCNc1cc(C(C)(C)C)nc2c3c(ccc12)CCCC3
InChIInChI=1S/C18H24N2/c1-18(2,3)16-11-15(19-4)14-10-9-12-7-5-6-8-13(12)17(14)20-16/h9-11H,5-8H2,1-4H3,(H,19,20)
InChIKeyUIXYEYXCCHRBMG-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine?
The IUPAC name of 2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine (CID 63481263) is 2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine?
The canonical SMILES for 2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine is CNc1cc(C(C)(C)C)nc2c3c(ccc12)CCCC3.
What is the InChIKey of 2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine?
The InChIKey is UIXYEYXCCHRBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(2,3)16-11-15(19-4)14-10-9-12-7-5-6-8-13(12)17(14)20-16/h9-11H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine?
2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine has a molecular weight of 268.40 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-7,8,9,10-tetrahydrobenzo[h]quinolin-4-amine is sourced from PubChem (CID 63481263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).