1-tert-butyl-8-methylisoquinolin-3-amine

C14H18N2 — CID 162100050

IUPAC1-tert-butyl-8-methylisoquinolin-3-amine
SMILESCc1cccc2cc(N)nc(C(C)(C)C)c12
InChIInChI=1S/C14H18N2/c1-9-6-5-7-10-8-11(15)16-13(12(9)10)14(2,3)4/h5-8H,1-4H3,(H2,15,16)
InChIKeyCYDIAPLUIFPBID-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.42
Rot. Bonds

About 1-tert-butyl-8-methylisoquinolin-3-amine

1-tert-butyl-8-methylisoquinolin-3-amine (PubChem CID 162100050) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-tert-butyl-8-methylisoquinolin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-8-methylisoquinolin-3-amine
PubChem CID162100050
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-tert-butyl-8-methylisoquinolin-3-amine
SMILESCc1cccc2cc(N)nc(C(C)(C)C)c12
InChIInChI=1S/C14H18N2/c1-9-6-5-7-10-8-11(15)16-13(12(9)10)14(2,3)4/h5-8H,1-4H3,(H2,15,16)
InChIKeyCYDIAPLUIFPBID-UHFFFAOYSA-N
XLogP3.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-8-methylisoquinolin-3-amine?
The IUPAC name of 1-tert-butyl-8-methylisoquinolin-3-amine (CID 162100050) is 1-tert-butyl-8-methylisoquinolin-3-amine.
What is the SMILES notation for 1-tert-butyl-8-methylisoquinolin-3-amine?
The canonical SMILES for 1-tert-butyl-8-methylisoquinolin-3-amine is Cc1cccc2cc(N)nc(C(C)(C)C)c12.
What is the InChIKey of 1-tert-butyl-8-methylisoquinolin-3-amine?
The InChIKey is CYDIAPLUIFPBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-6-5-7-10-8-11(15)16-13(12(9)10)14(2,3)4/h5-8H,1-4H3,(H2,15,16).
What are the key properties of 1-tert-butyl-8-methylisoquinolin-3-amine?
1-tert-butyl-8-methylisoquinolin-3-amine has a molecular weight of 214.31 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-8-methylisoquinolin-3-amine is sourced from PubChem (CID 162100050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).