6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

C24H30N2O — CID 138494177

IUPAC6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESC1#CC(COc2ccc3c(c2)CCC32CC2NCC2CCNCC2)=CCC1
InChIInChI=1S/C24H30N2O/c1-2-4-19(5-3-1)17-27-21-6-7-22-20(14-21)8-11-24(22)15-23(24)26-16-18-9-12-25-13-10-18/h4,6-7,14,18,23,25-26H,1-2,8-13,15-17H2
InChIKeyMZKRKFNUFWEPOD-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.33
Rot. Bonds6

About 6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 138494177) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID138494177
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESC1#CC(COc2ccc3c(c2)CCC32CC2NCC2CCNCC2)=CCC1
InChIInChI=1S/C24H30N2O/c1-2-4-19(5-3-1)17-27-21-6-7-22-20(14-21)8-11-24(22)15-23(24)26-16-18-9-12-25-13-10-18/h4,6-7,14,18,23,25-26H,1-2,8-13,15-17H2
InChIKeyMZKRKFNUFWEPOD-UHFFFAOYSA-N
XLogP3.33
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of 6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 138494177) is 6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for 6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for 6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is C1#CC(COc2ccc3c(c2)CCC32CC2NCC2CCNCC2)=CCC1.
What is the InChIKey of 6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is MZKRKFNUFWEPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-2-4-19(5-3-1)17-27-21-6-7-22-20(14-21)8-11-24(22)15-23(24)26-16-18-9-12-25-13-10-18/h4,6-7,14,18,23,25-26H,1-2,8-13,15-17H2.
What are the key properties of 6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 362.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohex-1-en-5-yn-1-ylmethoxy)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 138494177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).