decyl(1H-inden-1-yl)cyanamide

C20H28N2 — CID 151582376

IUPACdecyl(1H-inden-1-yl)cyanamide
SMILESCCCCCCCCCCN(C#N)C1C=Cc2ccccc21
InChIInChI=1S/C20H28N2/c1-2-3-4-5-6-7-8-11-16-22(17-21)20-15-14-18-12-9-10-13-19(18)20/h9-10,12-15,20H,2-8,11,16H2,1H3
InChIKeyQGTQKDDDXDQGCH-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.68
Rot. Bonds10

About decyl(1H-inden-1-yl)cyanamide

decyl(1H-inden-1-yl)cyanamide (PubChem CID 151582376) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is decyl(1H-inden-1-yl)cyanamide.

Molecular Properties

Compound Namedecyl(1H-inden-1-yl)cyanamide
PubChem CID151582376
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Namedecyl(1H-inden-1-yl)cyanamide
SMILESCCCCCCCCCCN(C#N)C1C=Cc2ccccc21
InChIInChI=1S/C20H28N2/c1-2-3-4-5-6-7-8-11-16-22(17-21)20-15-14-18-12-9-10-13-19(18)20/h9-10,12-15,20H,2-8,11,16H2,1H3
InChIKeyQGTQKDDDXDQGCH-UHFFFAOYSA-N
XLogP5.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-pentyl-N-(1H-phenalen-1-yl)benzenesulfonamide
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bis(1H-inden-1-yloxy)-dioctylstannane
CID 150847778
1-[1-(1H-inden-1-yl)dec-1-enyl]-1H-indene
CID 151420770
1-(4-butylphenyl)-1H-indene
CID 159304523
N-(2,2-difluoroethyl)-N-ethyl-1H-inden-1-amine
CID 151369877
(1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol
CID 11231456
9-nonyl-9H-fluorene
CID 22568532
CID 18688288
CID 18688288
(1R)-N,N-bis(prop-2-enyl)-1H-inden-1-amine
CID 141284861

Frequently Asked Questions

What is the IUPAC name of decyl(1H-inden-1-yl)cyanamide?
The IUPAC name of decyl(1H-inden-1-yl)cyanamide (CID 151582376) is decyl(1H-inden-1-yl)cyanamide.
What is the SMILES notation for decyl(1H-inden-1-yl)cyanamide?
The canonical SMILES for decyl(1H-inden-1-yl)cyanamide is CCCCCCCCCCN(C#N)C1C=Cc2ccccc21.
What is the InChIKey of decyl(1H-inden-1-yl)cyanamide?
The InChIKey is QGTQKDDDXDQGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-2-3-4-5-6-7-8-11-16-22(17-21)20-15-14-18-12-9-10-13-19(18)20/h9-10,12-15,20H,2-8,11,16H2,1H3.
What are the key properties of decyl(1H-inden-1-yl)cyanamide?
decyl(1H-inden-1-yl)cyanamide has a molecular weight of 296.46 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl(1H-inden-1-yl)cyanamide is sourced from PubChem (CID 151582376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).