2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine

C16H24N2 — CID 62405781

IUPAC2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine
SMILESCC(C1CCCCC1)N1Cc2cccc(N)c2C1
InChIInChI=1S/C16H24N2/c1-12(13-6-3-2-4-7-13)18-10-14-8-5-9-16(17)15(14)11-18/h5,8-9,12-13H,2-4,6-7,10-11,17H2,1H3
InChIKeySIUZYPYHUAJXSL-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.55
Rot. Bonds2

About 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine

2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine (PubChem CID 62405781) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine
PubChem CID62405781
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine
SMILESCC(C1CCCCC1)N1Cc2cccc(N)c2C1
InChIInChI=1S/C16H24N2/c1-12(13-6-3-2-4-7-13)18-10-14-8-5-9-16(17)15(14)11-18/h5,8-9,12-13H,2-4,6-7,10-11,17H2,1H3
InChIKeySIUZYPYHUAJXSL-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine (CID 62405781) is 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine is CC(C1CCCCC1)N1Cc2cccc(N)c2C1.
What is the InChIKey of 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is SIUZYPYHUAJXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(13-6-3-2-4-7-13)18-10-14-8-5-9-16(17)15(14)11-18/h5,8-9,12-13H,2-4,6-7,10-11,17H2,1H3.
What are the key properties of 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine?
2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 244.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 62405781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).