3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol

C15H21NO — CID 121267977

IUPAC3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol
SMILESNC1(C2CCCCC2)c2ccccc2CC1O
InChIInChI=1S/C15H21NO/c16-15(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-14(15)17/h4-6,9,12,14,17H,1-3,7-8,10,16H2
InChIKeyFSKVKUPIXRQXQJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.34
Rot. Bonds1

About 3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol

3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol (PubChem CID 121267977) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol.

Molecular Properties

Compound Name3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol
PubChem CID121267977
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol
SMILESNC1(C2CCCCC2)c2ccccc2CC1O
InChIInChI=1S/C15H21NO/c16-15(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-14(15)17/h4-6,9,12,14,17H,1-3,7-8,10,16H2
InChIKeyFSKVKUPIXRQXQJ-UHFFFAOYSA-N
XLogP2.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol?
The IUPAC name of 3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol (CID 121267977) is 3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol.
What is the SMILES notation for 3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol?
The canonical SMILES for 3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol is NC1(C2CCCCC2)c2ccccc2CC1O.
What is the InChIKey of 3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol?
The InChIKey is FSKVKUPIXRQXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-15(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-14(15)17/h4-6,9,12,14,17H,1-3,7-8,10,16H2.
What are the key properties of 3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol?
3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol has a molecular weight of 231.34 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclohexyl-1,2-dihydroinden-2-ol is sourced from PubChem (CID 121267977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).