[2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

C16H22N4 — CID 114528295

IUPAC[2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCn1ccnc1CCN1CCc2ccccc2C1CN
InChIInChI=1S/C16H22N4/c1-19-11-8-18-16(19)7-10-20-9-6-13-4-2-3-5-14(13)15(20)12-17/h2-5,8,11,15H,6-7,9-10,12,17H2,1H3
InChIKeyXYBYEMJMQKZJAS-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.52
Rot. Bonds4

About [2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

[2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 114528295) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID114528295
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCn1ccnc1CCN1CCc2ccccc2C1CN
InChIInChI=1S/C16H22N4/c1-19-11-8-18-16(19)7-10-20-9-6-13-4-2-3-5-14(13)15(20)12-17/h2-5,8,11,15H,6-7,9-10,12,17H2,1H3
InChIKeyXYBYEMJMQKZJAS-UHFFFAOYSA-N
XLogP1.52
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 114528295) is [2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is Cn1ccnc1CCN1CCc2ccccc2C1CN.
What is the InChIKey of [2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is XYBYEMJMQKZJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-11-8-18-16(19)7-10-20-9-6-13-4-2-3-5-14(13)15(20)12-17/h2-5,8,11,15H,6-7,9-10,12,17H2,1H3.
What are the key properties of [2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is sourced from PubChem (CID 114528295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).