6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine

C15H17N5 — CID 106948056

IUPAC6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine
SMILESCN(Cc1nccn1C)c1ccc2cnccc2c1N
InChIInChI=1S/C15H17N5/c1-19-8-7-18-14(19)10-20(2)13-4-3-11-9-17-6-5-12(11)15(13)16/h3-9H,10,16H2,1-2H3
InChIKeyIRNMIYOLMFFQRT-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.19
Rot. Bonds3

About 6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine

6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine (PubChem CID 106948056) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine
PubChem CID106948056
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine
SMILESCN(Cc1nccn1C)c1ccc2cnccc2c1N
InChIInChI=1S/C15H17N5/c1-19-8-7-18-14(19)10-20(2)13-4-3-11-9-17-6-5-12(11)15(13)16/h3-9H,10,16H2,1-2H3
InChIKeyIRNMIYOLMFFQRT-UHFFFAOYSA-N
XLogP2.19
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-[(4-fluorophenyl)methyl]-6-N-methylisoquinoline-5,6-diamine
CID 106947676
6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine
CID 106947957
6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine
CID 106947745
6-N-[(3-bromophenyl)methyl]-6-N-methylisoquinoline-5,6-diamine
CID 106947750
4-bromo-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,2-diamine
CID 63013204
2-(difluoromethyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63735656
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82237860
5-N-methyl-5-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 63013748
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 107541978
6-N-[2-(dimethylamino)ethyl]-6-N-(2-methylpropyl)isoquinoline-5,6-diamine
CID 106947905
6-N-butyl-6-N-ethylisoquinoline-5,6-diamine
CID 106947469
4-(bromomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 107083191

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine?
The IUPAC name of 6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine (CID 106948056) is 6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine is CN(Cc1nccn1C)c1ccc2cnccc2c1N.
What is the InChIKey of 6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine?
The InChIKey is IRNMIYOLMFFQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-19-8-7-18-14(19)10-20(2)13-4-3-11-9-17-6-5-12(11)15(13)16/h3-9H,10,16H2,1-2H3.
What are the key properties of 6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine?
6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine has a molecular weight of 267.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine is sourced from PubChem (CID 106948056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).