4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol

C17H24N2O — CID 107234607

IUPAC4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol
SMILESCc1c(CNC2CCC(O)CC2)n(C)c2ccccc12
InChIInChI=1S/C17H24N2O/c1-12-15-5-3-4-6-16(15)19(2)17(12)11-18-13-7-9-14(20)10-8-13/h3-6,13-14,18,20H,7-11H2,1-2H3
InChIKeyYBVUFKIQOAOTAP-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.88
Rot. Bonds3

About 4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol

4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol (PubChem CID 107234607) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol
PubChem CID107234607
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol
SMILESCc1c(CNC2CCC(O)CC2)n(C)c2ccccc12
InChIInChI=1S/C17H24N2O/c1-12-15-5-3-4-6-16(15)19(2)17(12)11-18-13-7-9-14(20)10-8-13/h3-6,13-14,18,20H,7-11H2,1-2H3
InChIKeyYBVUFKIQOAOTAP-UHFFFAOYSA-N
XLogP2.88
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol (CID 107234607) is 4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol is Cc1c(CNC2CCC(O)CC2)n(C)c2ccccc12.
What is the InChIKey of 4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol?
The InChIKey is YBVUFKIQOAOTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-15-5-3-4-6-16(15)19(2)17(12)11-18-13-7-9-14(20)10-8-13/h3-6,13-14,18,20H,7-11H2,1-2H3.
What are the key properties of 4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol?
4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 107234607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).