6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine

C17H26N4 — CID 106947835

IUPAC6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine
SMILESCC(C)CC(CN(C)C)Nc1ccc2cnccc2c1N
InChIInChI=1S/C17H26N4/c1-12(2)9-14(11-21(3)4)20-16-6-5-13-10-19-8-7-15(13)17(16)18/h5-8,10,12,14,20H,9,11,18H2,1-4H3
InChIKeyFJRMPAZLOFOHES-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.21
Rot. Bonds6

About 6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine

6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine (PubChem CID 106947835) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine
PubChem CID106947835
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine
SMILESCC(C)CC(CN(C)C)Nc1ccc2cnccc2c1N
InChIInChI=1S/C17H26N4/c1-12(2)9-14(11-21(3)4)20-16-6-5-13-10-19-8-7-15(13)17(16)18/h5-8,10,12,14,20H,9,11,18H2,1-4H3
InChIKeyFJRMPAZLOFOHES-UHFFFAOYSA-N
XLogP3.21
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-[4-(dimethylamino)butan-2-yl]isoquinoline-5,6-diamine
CID 106947839
6-N-(1-cyclopropylbutan-2-yl)isoquinoline-5,6-diamine
CID 106948121
1-[(5-aminoisoquinolin-6-yl)amino]-4-methylpentan-2-ol
CID 107151139
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide
CID 114288338
6-N-[4-(dimethylamino)butyl]isoquinoline-5,6-diamine
CID 106947959
6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine
CID 106948437
ethyl 2-[(5-aminoisoquinolin-6-yl)amino]propanoate
CID 106947814
6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine
CID 106947905
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine
CID 83065833
2-[(5-aminoisoquinolin-6-yl)amino]-N,N-dimethylacetamide
CID 106947627
6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine
CID 106947816
6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoquinoline-5,6-diamine
CID 106947830

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine?
The IUPAC name of 6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine (CID 106947835) is 6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine.
What is the SMILES notation for 6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine?
The canonical SMILES for 6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine is CC(C)CC(CN(C)C)Nc1ccc2cnccc2c1N.
What is the InChIKey of 6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine?
The InChIKey is FJRMPAZLOFOHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-12(2)9-14(11-21(3)4)20-16-6-5-13-10-19-8-7-15(13)17(16)18/h5-8,10,12,14,20H,9,11,18H2,1-4H3.
What are the key properties of 6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine?
6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine has a molecular weight of 286.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine is sourced from PubChem (CID 106947835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).