2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine

C16H20N4 — CID 106552005

IUPAC2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCc1cn(C2CC2)c(N2CCc3c(N)cccc3C2)n1
InChIInChI=1S/C16H20N4/c1-11-9-20(13-5-6-13)16(18-11)19-8-7-14-12(10-19)3-2-4-15(14)17/h2-4,9,13H,5-8,10,17H2,1H3
InChIKeyUFXNBYHOMWWPIQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.67
Rot. Bonds2

About 2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine

2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 106552005) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID106552005
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCc1cn(C2CC2)c(N2CCc3c(N)cccc3C2)n1
InChIInChI=1S/C16H20N4/c1-11-9-20(13-5-6-13)16(18-11)19-8-7-14-12(10-19)3-2-4-15(14)17/h2-4,9,13H,5-8,10,17H2,1H3
InChIKeyUFXNBYHOMWWPIQ-UHFFFAOYSA-N
XLogP2.67
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 103563697
2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine
CID 62481027
1-(1-cyclopropyl-4-methylimidazol-2-yl)-2-methylpiperidin-4-amine
CID 106553466
2-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 106551994
1-(1-cyclopropyl-4-methylimidazol-2-yl)-3-methylpiperazine
CID 106552964
2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017555
2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61018845
3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553504
2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524501
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 61015190
2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine
CID 114932785
2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 106822833

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine (CID 106552005) is 2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine is Cc1cn(C2CC2)c(N2CCc3c(N)cccc3C2)n1.
What is the InChIKey of 2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is UFXNBYHOMWWPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-9-20(13-5-6-13)16(18-11)19-8-7-14-12(10-19)3-2-4-15(14)17/h2-4,9,13H,5-8,10,17H2,1H3.
What are the key properties of 2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 268.36 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 106552005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).