N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine

C19H18N2 — CID 104694147

IUPACN-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCc1cccc3cnccc13)C2
InChIInChI=1S/C19H18N2/c1-2-5-15-11-18(10-14(15)4-1)21-13-17-7-3-6-16-12-20-9-8-19(16)17/h1-9,12,18,21H,10-11,13H2
InChIKeyPXDNXEQDIYAIKZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.49
Rot. Bonds3

About N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine

N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 104694147) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID104694147
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC NameN-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCc1cccc3cnccc13)C2
InChIInChI=1S/C19H18N2/c1-2-5-15-11-18(10-14(15)4-1)21-13-17-7-3-6-16-12-20-9-8-19(16)17/h1-9,12,18,21H,10-11,13H2
InChIKeyPXDNXEQDIYAIKZ-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995
N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine
CID 103081674
N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62824077
N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine
CID 43780496
1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 113381730
3-[4-(isoquinolin-5-ylmethylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 128976621
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
4-bromo-N-(isoquinolin-5-ylmethyl)aniline
CID 62824422
1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine
CID 175485819

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine (CID 104694147) is N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(NCc1cccc3cnccc13)C2.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is PXDNXEQDIYAIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-2-5-15-11-18(10-14(15)4-1)21-13-17-7-3-6-16-12-20-9-8-19(16)17/h1-9,12,18,21H,10-11,13H2.
What are the key properties of N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 274.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 104694147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).