2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine

C16H24N2O — CID 63827400

IUPAC2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(CCOC1CCCCC1)C2
InChIInChI=1S/C16H24N2O/c17-15-7-6-13-11-18(12-14(13)10-15)8-9-19-16-4-2-1-3-5-16/h6-7,10,16H,1-5,8-9,11-12,17H2
InChIKeyKGDPTMVCXDBHFI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.93
Rot. Bonds4

About 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine

2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine (PubChem CID 63827400) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine
PubChem CID63827400
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(CCOC1CCCCC1)C2
InChIInChI=1S/C16H24N2O/c17-15-7-6-13-11-18(12-14(13)10-15)8-9-19-16-4-2-1-3-5-16/h6-7,10,16H,1-5,8-9,11-12,17H2
InChIKeyKGDPTMVCXDBHFI-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine (CID 63827400) is 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine is Nc1ccc2c(c1)CN(CCOC1CCCCC1)C2.
What is the InChIKey of 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is KGDPTMVCXDBHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-15-7-6-13-11-18(12-14(13)10-15)8-9-19-16-4-2-1-3-5-16/h6-7,10,16H,1-5,8-9,11-12,17H2.
What are the key properties of 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine?
2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 260.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyloxyethyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 63827400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).