N-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine

C19H28N2 — CID 170589165

IUPACN-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine
SMILESCCCN(CC)CCc1ccc2ccnc(C(C)C)c2c1
InChIInChI=1S/C19H28N2/c1-5-12-21(6-2)13-10-16-7-8-17-9-11-20-19(15(3)4)18(17)14-16/h7-9,11,14-15H,5-6,10,12-13H2,1-4H3
InChIKeyWVOMTWKVGADSSY-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.63
Rot. Bonds7

About N-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine

N-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine (PubChem CID 170589165) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine
PubChem CID170589165
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine
SMILESCCCN(CC)CCc1ccc2ccnc(C(C)C)c2c1
InChIInChI=1S/C19H28N2/c1-5-12-21(6-2)13-10-16-7-8-17-9-11-20-19(15(3)4)18(17)14-16/h7-9,11,14-15H,5-6,10,12-13H2,1-4H3
InChIKeyWVOMTWKVGADSSY-UHFFFAOYSA-N
XLogP4.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine (CID 170589165) is N-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine is CCCN(CC)CCc1ccc2ccnc(C(C)C)c2c1.
What is the InChIKey of N-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine?
The InChIKey is WVOMTWKVGADSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-5-12-21(6-2)13-10-16-7-8-17-9-11-20-19(15(3)4)18(17)14-16/h7-9,11,14-15H,5-6,10,12-13H2,1-4H3.
What are the key properties of N-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine?
N-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(1-propan-2-ylisoquinolin-7-yl)ethyl]propan-1-amine is sourced from PubChem (CID 170589165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).