N,6-di(propan-2-yl)isoquinolin-8-amine

C15H20N2 — CID 20604240

IUPACN,6-di(propan-2-yl)isoquinolin-8-amine
SMILESCC(C)Nc1cc(C(C)C)cc2ccncc12
InChIInChI=1S/C15H20N2/c1-10(2)13-7-12-5-6-16-9-14(12)15(8-13)17-11(3)4/h5-11,17H,1-4H3
InChIKeyKPDQHPULGWXFAD-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.18
Rot. Bonds3

About N,6-di(propan-2-yl)isoquinolin-8-amine

N,6-di(propan-2-yl)isoquinolin-8-amine (PubChem CID 20604240) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N,6-di(propan-2-yl)isoquinolin-8-amine.

Molecular Properties

Compound NameN,6-di(propan-2-yl)isoquinolin-8-amine
PubChem CID20604240
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN,6-di(propan-2-yl)isoquinolin-8-amine
SMILESCC(C)Nc1cc(C(C)C)cc2ccncc12
InChIInChI=1S/C15H20N2/c1-10(2)13-7-12-5-6-16-9-14(12)15(8-13)17-11(3)4/h5-11,17H,1-4H3
InChIKeyKPDQHPULGWXFAD-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,6-di(propan-2-yl)isoquinolin-8-amine?
The IUPAC name of N,6-di(propan-2-yl)isoquinolin-8-amine (CID 20604240) is N,6-di(propan-2-yl)isoquinolin-8-amine.
What is the SMILES notation for N,6-di(propan-2-yl)isoquinolin-8-amine?
The canonical SMILES for N,6-di(propan-2-yl)isoquinolin-8-amine is CC(C)Nc1cc(C(C)C)cc2ccncc12.
What is the InChIKey of N,6-di(propan-2-yl)isoquinolin-8-amine?
The InChIKey is KPDQHPULGWXFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10(2)13-7-12-5-6-16-9-14(12)15(8-13)17-11(3)4/h5-11,17H,1-4H3.
What are the key properties of N,6-di(propan-2-yl)isoquinolin-8-amine?
N,6-di(propan-2-yl)isoquinolin-8-amine has a molecular weight of 228.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-di(propan-2-yl)isoquinolin-8-amine is sourced from PubChem (CID 20604240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).