(6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide

C20H26N2O — CID 58197062

IUPAC(6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
SMILESCCCCc1ccc2c(c1)/C(=N\C#N)C1(CCC(OC)CC1)C2
InChIInChI=1S/C20H26N2O/c1-3-4-5-15-6-7-16-13-20(10-8-17(23-2)9-11-20)19(22-14-21)18(16)12-15/h6-7,12,17H,3-5,8-11,13H2,1-2H3/b22-19+
InChIKeyWWTMFCXBIFINKH-ZBJSNUHESA-N
MW310.44 g/mol
LogP4.43
Rot. Bonds4

About (6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide

(6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide (PubChem CID 58197062) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide.

Molecular Properties

Compound Name(6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
PubChem CID58197062
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
SMILESCCCCc1ccc2c(c1)/C(=N\C#N)C1(CCC(OC)CC1)C2
InChIInChI=1S/C20H26N2O/c1-3-4-5-15-6-7-16-13-20(10-8-17(23-2)9-11-20)19(22-14-21)18(16)12-15/h6-7,12,17H,3-5,8-11,13H2,1-2H3/b22-19+
InChIKeyWWTMFCXBIFINKH-ZBJSNUHESA-N
XLogP4.43
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The IUPAC name of (6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide (CID 58197062) is (6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide.
What is the SMILES notation for (6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The canonical SMILES for (6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide is CCCCc1ccc2c(c1)/C(=N\C#N)C1(CCC(OC)CC1)C2.
What is the InChIKey of (6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The InChIKey is WWTMFCXBIFINKH-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-4-5-15-6-7-16-13-20(10-8-17(23-2)9-11-20)19(22-14-21)18(16)12-15/h6-7,12,17H,3-5,8-11,13H2,1-2H3/b22-19+.
What are the key properties of (6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
(6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide has a molecular weight of 310.44 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-butyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide is sourced from PubChem (CID 58197062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).