N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine

C19H28N2 — CID 103136570

IUPACN,2-diethyl-1-isoquinolin-8-ylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1cccc2ccncc12
InChIInChI=1S/C19H28N2/c1-4-7-9-15(5-2)19(21-6-3)17-11-8-10-16-12-13-20-14-18(16)17/h8,10-15,19,21H,4-7,9H2,1-3H3
InChIKeyWIBZERNGGNNOHU-UHFFFAOYSA-N
MW284.45 g/mol
LogP5.10
Rot. Bonds8

About N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine

N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine (PubChem CID 103136570) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-isoquinolin-8-ylhexan-1-amine
PubChem CID103136570
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN,2-diethyl-1-isoquinolin-8-ylhexan-1-amine
SMILESCCCCC(CC)C(NCC)c1cccc2ccncc12
InChIInChI=1S/C19H28N2/c1-4-7-9-15(5-2)19(21-6-3)17-11-8-10-16-12-13-20-14-18(16)17/h8,10-15,19,21H,4-7,9H2,1-3H3
InChIKeyWIBZERNGGNNOHU-UHFFFAOYSA-N
XLogP5.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
CID 103135847
1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970
1-isoquinolin-8-yl-2-methoxy-N-propylbutan-1-amine
CID 103143789
2-butan-2-ylsulfanyl-N-ethyl-1-isoquinolin-8-ylethanamine
CID 103143599
N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
CID 115827935
1-isoquinolin-8-yl-2-methoxy-N-propylpentan-1-amine
CID 103143800
1-isoquinolin-8-yl-N-methylbutan-1-amine
CID 103136371
1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine
CID 103143798
1-isoquinolin-8-yl-N-methylpropan-1-amine
CID 103136782
N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine
CID 103136162

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine?
The IUPAC name of N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine (CID 103136570) is N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine.
What is the SMILES notation for N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine?
The canonical SMILES for N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine is CCCCC(CC)C(NCC)c1cccc2ccncc12.
What is the InChIKey of N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine?
The InChIKey is WIBZERNGGNNOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-7-9-15(5-2)19(21-6-3)17-11-8-10-16-12-13-20-14-18(16)17/h8,10-15,19,21H,4-7,9H2,1-3H3.
What are the key properties of N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine?
N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine is sourced from PubChem (CID 103136570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).