6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine

C17H26N4 — CID 106947905

IUPAC6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine
SMILESCC(C)CN(CCN(C)C)c1ccc2cnccc2c1N
InChIInChI=1S/C17H26N4/c1-13(2)12-21(10-9-20(3)4)16-6-5-14-11-19-8-7-15(14)17(16)18/h5-8,11,13H,9-10,12,18H2,1-4H3
InChIKeyUOCQRVZHGZNHMF-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.84
Rot. Bonds6

About 6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine

6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine (PubChem CID 106947905) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine
PubChem CID106947905
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine
SMILESCC(C)CN(CCN(C)C)c1ccc2cnccc2c1N
InChIInChI=1S/C17H26N4/c1-13(2)12-21(10-9-20(3)4)16-6-5-14-11-19-8-7-15(14)17(16)18/h5-8,11,13H,9-10,12,18H2,1-4H3
InChIKeyUOCQRVZHGZNHMF-UHFFFAOYSA-N
XLogP2.84
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-N-ethyl-6-N-(2-methylpropyl)isoquinoline-5,6-diamine
CID 106947622
3-[(5-aminoisoquinolin-6-yl)-ethylamino]-2-methylpropanenitrile
CID 106947873
6-N-butyl-6-N-ethylisoquinoline-5,6-diamine
CID 106947469
6-N-[4-(dimethylamino)butan-2-yl]isoquinoline-5,6-diamine
CID 106947839
6-N-methyl-6-N-(2-methylsulfanylethyl)isoquinoline-5,6-diamine
CID 106948345
2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide
CID 106948039
2-[(5-aminoisoquinolin-6-yl)-(2-methoxyethyl)amino]ethanol
CID 106948402
6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)isoquinoline-5,6-diamine
CID 106948452
6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine
CID 106947696
6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine
CID 106947835
2-[(5-aminoisoquinolin-6-yl)-propan-2-ylamino]acetamide
CID 106947872
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-1H-pyrazole-4,5-diamine
CID 114995072

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine?
The IUPAC name of 6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine (CID 106947905) is 6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine.
What is the SMILES notation for 6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine?
The canonical SMILES for 6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine is CC(C)CN(CCN(C)C)c1ccc2cnccc2c1N.
What is the InChIKey of 6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine?
The InChIKey is UOCQRVZHGZNHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13(2)12-21(10-9-20(3)4)16-6-5-14-11-19-8-7-15(14)17(16)18/h5-8,11,13H,9-10,12,18H2,1-4H3.
What are the key properties of 6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine?
6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine has a molecular weight of 286.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine is sourced from PubChem (CID 106947905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).