1-aminoisoquinoline-7-carbonitrile;pentane

C15H19N3 — CID 178040061

IUPAC1-aminoisoquinoline-7-carbonitrile;pentane
SMILESCCCCC.N#Cc1ccc2ccnc(N)c2c1
InChIInChI=1S/C10H7N3.C5H12/c11-6-7-1-2-8-3-4-13-10(12)9(8)5-7;1-3-5-4-2/h1-5H,(H2,12,13);3-5H2,1-2H3
InChIKeyBMKNMQBVFKKXQC-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.89
Rot. Bonds2

About 1-aminoisoquinoline-7-carbonitrile;pentane

1-aminoisoquinoline-7-carbonitrile;pentane (PubChem CID 178040061) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-aminoisoquinoline-7-carbonitrile;pentane.

Molecular Properties

Compound Name1-aminoisoquinoline-7-carbonitrile;pentane
PubChem CID178040061
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-aminoisoquinoline-7-carbonitrile;pentane
SMILESCCCCC.N#Cc1ccc2ccnc(N)c2c1
InChIInChI=1S/C10H7N3.C5H12/c11-6-7-1-2-8-3-4-13-10(12)9(8)5-7;1-3-5-4-2/h1-5H,(H2,12,13);3-5H2,1-2H3
InChIKeyBMKNMQBVFKKXQC-UHFFFAOYSA-N
XLogP3.89
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dipropylamino)isoquinoline-7-carbonitrile
CID 21085197
7-methylisoquinolin-1-amine;propane
CID 142933220
7-methylisoquinolin-1-amine
CID 18727905
ethane;7-ethylisoquinolin-1-amine
CID 143545828
isoquinolin-1-amine;pentan-1-amine
CID 68813613
4-amino-3-butylbenzonitrile
CID 165437908
1,5-diaminocyclopenta[c]azepine-7-carbonitrile
CID 172544419
6,7-didodecoxytriphenylene-2,11-dicarbonitrile
CID 101498904
2-[butyl(ethyl)amino]pyridine-4-carbonitrile
CID 24696203
3-butoxynaphthalene-2,7-dicarbonitrile
CID 23118700
2-amino-3-methoxypyridine-4-carbonitrile
CID 119008988
7-(1H-imidazol-2-ylmethyl)-8-methylnaphthalene-2-carbonitrile
CID 70456739

Frequently Asked Questions

What is the IUPAC name of 1-aminoisoquinoline-7-carbonitrile;pentane?
The IUPAC name of 1-aminoisoquinoline-7-carbonitrile;pentane (CID 178040061) is 1-aminoisoquinoline-7-carbonitrile;pentane.
What is the SMILES notation for 1-aminoisoquinoline-7-carbonitrile;pentane?
The canonical SMILES for 1-aminoisoquinoline-7-carbonitrile;pentane is CCCCC.N#Cc1ccc2ccnc(N)c2c1.
What is the InChIKey of 1-aminoisoquinoline-7-carbonitrile;pentane?
The InChIKey is BMKNMQBVFKKXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3.C5H12/c11-6-7-1-2-8-3-4-13-10(12)9(8)5-7;1-3-5-4-2/h1-5H,(H2,12,13);3-5H2,1-2H3.
What are the key properties of 1-aminoisoquinoline-7-carbonitrile;pentane?
1-aminoisoquinoline-7-carbonitrile;pentane has a molecular weight of 241.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoisoquinoline-7-carbonitrile;pentane is sourced from PubChem (CID 178040061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).