N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine

C11H16N2 — CID 66657110

IUPACN-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine
SMILESCC(C)Nc1ccc2c(c1)CNC2
InChIInChI=1S/C11H16N2/c1-8(2)13-11-4-3-9-6-12-7-10(9)5-11/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyUIEHHQOIYDRUJF-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.11
Rot. Bonds2

About N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine

N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine (PubChem CID 66657110) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine.

Molecular Properties

Compound NameN-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine
PubChem CID66657110
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine
SMILESCC(C)Nc1ccc2c(c1)CNC2
InChIInChI=1S/C11H16N2/c1-8(2)13-11-4-3-9-6-12-7-10(9)5-11/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyUIEHHQOIYDRUJF-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(propan-2-ylamino)-2,3-dihydroisoindol-1-one
CID 130611791
ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole
CID 161239828
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine
CID 115105185
1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66935877
6-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 83819619
5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride
CID 68823048
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
tert-butyl N-(2,3-dihydro-1H-isoindol-5-yl)carbamate
CID 67369231
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998735

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine?
The IUPAC name of N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine (CID 66657110) is N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine.
What is the SMILES notation for N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine?
The canonical SMILES for N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine is CC(C)Nc1ccc2c(c1)CNC2.
What is the InChIKey of N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine?
The InChIKey is UIEHHQOIYDRUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)13-11-4-3-9-6-12-7-10(9)5-11/h3-5,8,12-13H,6-7H2,1-2H3.
What are the key properties of N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine?
N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine has a molecular weight of 176.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine is sourced from PubChem (CID 66657110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).