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

C15H17N5 — CID 106947957

IUPAC6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine
SMILESCn1ccnc1CCNc1ccc2cnccc2c1N
InChIInChI=1S/C15H17N5/c1-20-9-8-19-14(20)5-7-18-13-3-2-11-10-17-6-4-12(11)15(13)16/h2-4,6,8-10,18H,5,7,16H2,1H3
InChIKeyUPVPYRCJATXJIM-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.21
Rot. Bonds4

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

6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine (PubChem CID 106947957) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine
PubChem CID106947957
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine
SMILESCn1ccnc1CCNc1ccc2cnccc2c1N
InChIInChI=1S/C15H17N5/c1-20-9-8-19-14(20)5-7-18-13-3-2-11-10-17-6-4-12(11)15(13)16/h2-4,6,8-10,18H,5,7,16H2,1H3
InChIKeyUPVPYRCJATXJIM-UHFFFAOYSA-N
XLogP2.21
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-5,6-diamine
CID 106948056
2-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]benzene-1,3-diamine
CID 63061895
2-amino-3-[2-(1-methylimidazol-2-yl)ethylamino]benzenesulfonamide
CID 115992604
N-[2-(1-methylimidazol-2-yl)ethyl]-3-nitropyridin-4-amine
CID 61211864
6-N-(3-ethoxypropyl)isoquinoline-5,6-diamine
CID 106947522
3-[(5-aminoisoquinolin-6-yl)amino]-2,2-dimethylpropanamide
CID 106275203
6-N-[(4-ethylphenyl)methyl]isoquinoline-5,6-diamine
CID 106948521
6-N-(1,3-thiazol-2-ylmethyl)isoquinoline-5,6-diamine
CID 106947735
6-N-(2,2-dimethylheptyl)isoquinoline-5,6-diamine
CID 106948270
2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527496
1-[(5-aminoisoquinolin-6-yl)amino]-4-methylpentan-2-ol
CID 107151139
4-bromo-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527453

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine?
The IUPAC name of 6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine (CID 106947957) is 6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine.
What is the SMILES notation for 6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine?
The canonical SMILES for 6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine is Cn1ccnc1CCNc1ccc2cnccc2c1N.
What is the InChIKey of 6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine?
The InChIKey is UPVPYRCJATXJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-20-9-8-19-14(20)5-7-18-13-3-2-11-10-17-6-4-12(11)15(13)16/h2-4,6,8-10,18H,5,7,16H2,1H3.
What are the key properties of 6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine?
6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine has a molecular weight of 267.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(1-methylimidazol-2-yl)ethyl]isoquinoline-5,6-diamine is sourced from PubChem (CID 106947957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).