6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine

C14H15N5 — CID 106948437

IUPAC6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine
SMILESCC(Nc1ccc2cnccc2c1N)c1ncc[nH]1
InChIInChI=1S/C14H15N5/c1-9(14-17-6-7-18-14)19-12-3-2-10-8-16-5-4-11(10)13(12)15/h2-9,19H,15H2,1H3,(H,17,18)
InChIKeyHMJKZHPKCFRYCJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.71
Rot. Bonds3

About 6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine

6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine (PubChem CID 106948437) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine
PubChem CID106948437
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine
SMILESCC(Nc1ccc2cnccc2c1N)c1ncc[nH]1
InChIInChI=1S/C14H15N5/c1-9(14-17-6-7-18-14)19-12-3-2-10-8-16-5-4-11(10)13(12)15/h2-9,19H,15H2,1H3,(H,17,18)
InChIKeyHMJKZHPKCFRYCJ-UHFFFAOYSA-N
XLogP2.71
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]isoquinoline-5,6-diamine
CID 106947830
6-N-[4-(dimethylamino)butan-2-yl]isoquinoline-5,6-diamine
CID 106947839
6-N-[1-(dimethylamino)-4-methylpentan-2-yl]isoquinoline-5,6-diamine
CID 106947835
ethyl 2-[(5-aminoisoquinolin-6-yl)amino]propanoate
CID 106947814
1-[(5-aminoisoquinolin-6-yl)amino]-4-methylpentan-2-ol
CID 107151139
6-N-(2-propan-2-ylphenyl)isoquinoline-5,6-diamine
CID 106947549
1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038994
6-N-(1-cyclopropylbutan-2-yl)isoquinoline-5,6-diamine
CID 106948121
6-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-5,6-diamine
CID 106947816
4-(4-fluoro-2-methoxyphenyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyridin-3-amine
CID 70663503
6-N-(2-cyclopropylpropyl)isoquinoline-5,6-diamine
CID 106948405
5-bromo-4-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3,4-diamine
CID 103518518

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine?
The IUPAC name of 6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine (CID 106948437) is 6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine.
What is the SMILES notation for 6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine?
The canonical SMILES for 6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine is CC(Nc1ccc2cnccc2c1N)c1ncc[nH]1.
What is the InChIKey of 6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine?
The InChIKey is HMJKZHPKCFRYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9(14-17-6-7-18-14)19-12-3-2-10-8-16-5-4-11(10)13(12)15/h2-9,19H,15H2,1H3,(H,17,18).
What are the key properties of 6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine?
6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine has a molecular weight of 253.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(1H-imidazol-2-yl)ethyl]isoquinoline-5,6-diamine is sourced from PubChem (CID 106948437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).