5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol

C23H41NO2 — CID 66838148

IUPAC5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
SMILESC=C1CCC2C(O)C(C3(C)CCC(O)CC3CNCC(C)C)CCC12C
InChIInChI=1S/C23H41NO2/c1-15(2)13-24-14-17-12-18(25)8-10-23(17,5)20-9-11-22(4)16(3)6-7-19(22)21(20)26/h15,17-21,24-26H,3,6-14H2,1-2,4-5H3
InChIKeyAPUQVOLFJWSBPO-UHFFFAOYSA-N
MW363.59 g/mol
LogP4.14
Rot. Bonds5

About 5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol

5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol (PubChem CID 66838148) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is 5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol.

Molecular Properties

Compound Name5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
PubChem CID66838148
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC Name5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
SMILESC=C1CCC2C(O)C(C3(C)CCC(O)CC3CNCC(C)C)CCC12C
InChIInChI=1S/C23H41NO2/c1-15(2)13-24-14-17-12-18(25)8-10-23(17,5)20-9-11-22(4)16(3)6-7-19(22)21(20)26/h15,17-21,24-26H,3,6-14H2,1-2,4-5H3
InChIKeyAPUQVOLFJWSBPO-UHFFFAOYSA-N
XLogP4.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol?
The IUPAC name of 5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol (CID 66838148) is 5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol.
What is the SMILES notation for 5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol?
The canonical SMILES for 5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol is C=C1CCC2C(O)C(C3(C)CCC(O)CC3CNCC(C)C)CCC12C.
What is the InChIKey of 5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol?
The InChIKey is APUQVOLFJWSBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO2/c1-15(2)13-24-14-17-12-18(25)8-10-23(17,5)20-9-11-22(4)16(3)6-7-19(22)21(20)26/h15,17-21,24-26H,3,6-14H2,1-2,4-5H3.
What are the key properties of 5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol?
5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol has a molecular weight of 363.59 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-hydroxy-1-methyl-2-[(2-methylpropylamino)methyl]cyclohexyl]-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol is sourced from PubChem (CID 66838148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).