N-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide

C15H25N3O — CID 141045690

IUPACN-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide
SMILESCCN(CC)CCNC(=O)C1NCC2=C1C=CCC2
InChIInChI=1S/C15H25N3O/c1-3-18(4-2)10-9-16-15(19)14-13-8-6-5-7-12(13)11-17-14/h6,8,14,17H,3-5,7,9-11H2,1-2H3,(H,16,19)
InChIKeySJDMKGQJUFMPEZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.06
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide

N-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide (PubChem CID 141045690) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide
PubChem CID141045690
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide
SMILESCCN(CC)CCNC(=O)C1NCC2=C1C=CCC2
InChIInChI=1S/C15H25N3O/c1-3-18(4-2)10-9-16-15(19)14-13-8-6-5-7-12(13)11-17-14/h6,8,14,17H,3-5,7,9-11H2,1-2H3,(H,16,19)
InChIKeySJDMKGQJUFMPEZ-UHFFFAOYSA-N
XLogP1.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide (CID 141045690) is N-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide is CCN(CC)CCNC(=O)C1NCC2=C1C=CCC2.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide?
The InChIKey is SJDMKGQJUFMPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-18(4-2)10-9-16-15(19)14-13-8-6-5-7-12(13)11-17-14/h6,8,14,17H,3-5,7,9-11H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide?
N-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2,3,4,5-tetrahydro-1H-isoindole-1-carboxamide is sourced from PubChem (CID 141045690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).