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

C16H24N2 — CID 62405782

IUPAC2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-amine
SMILESCC(C1CCCCC1)N1Cc2ccc(N)cc2C1
InChIInChI=1S/C16H24N2/c1-12(13-5-3-2-4-6-13)18-10-14-7-8-16(17)9-15(14)11-18/h7-9,12-13H,2-6,10-11,17H2,1H3
InChIKeySKSVKQJFQBDDFF-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.55
Rot. Bonds2

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

2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-amine (PubChem CID 62405782) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-amine
PubChem CID62405782
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-amine
SMILESCC(C1CCCCC1)N1Cc2ccc(N)cc2C1
InChIInChI=1S/C16H24N2/c1-12(13-5-3-2-4-6-13)18-10-14-7-8-16(17)9-15(14)11-18/h7-9,12-13H,2-6,10-11,17H2,1H3
InChIKeySKSVKQJFQBDDFF-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'}

Analyze 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Pyrrolidin-1-ylmethyl)aniline
CID 1096407
Amiflamine
CID 71221
2-(3,5-Dimethylphenyl)isoindoline
CID 613815
4-(2-(Pyrrolidin-1-yl)ethyl)aniline
CID 6487047
4-[(6S,10bR)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]aniline;hydrobromide
CID 13646526
4-[(6R,10bS)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]aniline;hydrobromide
CID 70697544
4-(Dimethylamino)-alpha,2-dimethylphenethylamine
CID 3043606
(3beta,5beta,8beta)-9,10-Didehydro-2,3-dihydro-6-methylergoline-8-acetonitrile
CID 14107793
(3beta,5beta,8beta)-9,10-Didehydro-2,3-dihydro-8-methyl-6-propylergoline
CID 14107810
3-Methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
CID 77974401
2-Methyl-2-phenylisoindolinium iodide
CID 28105
1-(5-amino-2,3-dihydro-1H-isoindol-2-yl)ethan-1-one
CID 20754722

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-amine (CID 62405782) is 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-amine is CC(C1CCCCC1)N1Cc2ccc(N)cc2C1.
What is the InChIKey of 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is SKSVKQJFQBDDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(13-5-3-2-4-6-13)18-10-14-7-8-16(17)9-15(14)11-18/h7-9,12-13H,2-6,10-11,17H2,1H3.
What are the key properties of 2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-amine?
2-(1-cyclohexylethyl)-1,3-dihydroisoindol-5-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-5-amine is sourced from PubChem (CID 62405782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).