N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine

C12H20N2 — CID 15571646

IUPACN,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine
SMILESCCN(CC)C1CCc2c[nH]cc2C1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)12-6-5-10-8-13-9-11(10)7-12/h8-9,12-13H,3-7H2,1-2H3
InChIKeyXHJSNZVFNFCSOD-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.21
Rot. Bonds3

About N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine

N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine (PubChem CID 15571646) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine.

Molecular Properties

Compound NameN,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine
PubChem CID15571646
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine
SMILESCCN(CC)C1CCc2c[nH]cc2C1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)12-6-5-10-8-13-9-11(10)7-12/h8-9,12-13H,3-7H2,1-2H3
InChIKeyXHJSNZVFNFCSOD-UHFFFAOYSA-N
XLogP2.21
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine?
The IUPAC name of N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine (CID 15571646) is N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine.
What is the SMILES notation for N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine?
The canonical SMILES for N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine is CCN(CC)C1CCc2c[nH]cc2C1.
What is the InChIKey of N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine?
The InChIKey is XHJSNZVFNFCSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-14(4-2)12-6-5-10-8-13-9-11(10)7-12/h8-9,12-13H,3-7H2,1-2H3.
What are the key properties of N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine?
N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine has a molecular weight of 192.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine is sourced from PubChem (CID 15571646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).