2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine

C16H24N2 — CID 64743877

IUPAC2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine
SMILESCC1CCC(N2Cc3ccc(N)cc3C2)CC1C
InChIInChI=1S/C16H24N2/c1-11-3-6-16(7-12(11)2)18-9-13-4-5-15(17)8-14(13)10-18/h4-5,8,11-12,16H,3,6-7,9-10,17H2,1-2H3
InChIKeySZQWRRVDHYBZIY-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.41
Rot. Bonds1

About 2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine

2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine (PubChem CID 64743877) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine
PubChem CID64743877
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine
SMILESCC1CCC(N2Cc3ccc(N)cc3C2)CC1C
InChIInChI=1S/C16H24N2/c1-11-3-6-16(7-12(11)2)18-9-13-4-5-15(17)8-14(13)10-18/h4-5,8,11-12,16H,3,6-7,9-10,17H2,1-2H3
InChIKeySZQWRRVDHYBZIY-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.41
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-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine (CID 64743877) is 2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine is CC1CCC(N2Cc3ccc(N)cc3C2)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is SZQWRRVDHYBZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-3-6-16(7-12(11)2)18-9-13-4-5-15(17)8-14(13)10-18/h4-5,8,11-12,16H,3,6-7,9-10,17H2,1-2H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine?
2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 244.38 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 64743877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).