[4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate

C15H19N3O2 — CID 151804979

IUPAC[4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCc1ccc2c(N)nccc2c1)OC(N)=O
InChIInChI=1S/C15H19N3O2/c1-15(2,20-14(17)19)7-5-10-3-4-12-11(9-10)6-8-18-13(12)16/h3-4,6,8-9H,5,7H2,1-2H3,(H2,16,18)(H2,17,19)
InChIKeyRZKKJMMSRXDEFD-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.62
Rot. Bonds4

About [4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate

[4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate (PubChem CID 151804979) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate
PubChem CID151804979
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCc1ccc2c(N)nccc2c1)OC(N)=O
InChIInChI=1S/C15H19N3O2/c1-15(2,20-14(17)19)7-5-10-3-4-12-11(9-10)6-8-18-13(12)16/h3-4,6,8-9H,5,7H2,1-2H3,(H2,16,18)(H2,17,19)
InChIKeyRZKKJMMSRXDEFD-UHFFFAOYSA-N
XLogP2.62
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
CID 151194461
[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate
CID 151939532
[4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate
CID 151477380
6-(methylaminomethyl)isoquinolin-1-amine
CID 139340899
tert-butyl N-[6-(2-aminoethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 154608024
tert-butyl 3-(1-methylisoquinolin-6-yl)propanoate
CID 143070569
methyl 2-[(1-aminoisoquinolin-6-yl)methylamino]-N-ethyl-2-oxoethanimidate
CID 139341030
(2R)-2-amino-N-[(2S)-5-(1-aminoisoquinolin-6-yl)-3-oxopentan-2-yl]-4-phenylbutanamide
CID 167606021
6-[(benzylamino)methyl]isoquinolin-1-amine
CID 53322817
3-(1-aminoisoquinolin-6-yl)-1-[6-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one
CID 167554786
tert-butyl N-[3-(1-aminoisoquinolin-6-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 90841250
[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 152688524

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate?
The IUPAC name of [4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate (CID 151804979) is [4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate.
What is the SMILES notation for [4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate?
The canonical SMILES for [4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate is CC(C)(CCc1ccc2c(N)nccc2c1)OC(N)=O.
What is the InChIKey of [4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate?
The InChIKey is RZKKJMMSRXDEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,20-14(17)19)7-5-10-3-4-12-11(9-10)6-8-18-13(12)16/h3-4,6,8-9H,5,7H2,1-2H3,(H2,16,18)(H2,17,19).
What are the key properties of [4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate?
[4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate has a molecular weight of 273.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate is sourced from PubChem (CID 151804979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).