butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+)

C18H37HfN3 — CID 153433923

IUPACbutan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+)
SMILESCCC(C)[N-]CCC1=CC=CC1.CC[N-]C.CC[N-]C.[CH3-].[Hf+4]
InChIInChI=1S/C11H18N.2C3H8N.CH3.Hf/c1-3-10(2)12-9-8-11-6-4-5-7-11;2*1-3-4-2;;/h4-6,10H,3,7-9H2,1-2H3;2*3H2,1-2H3;1H3;/q4*-1;+4
InChIKeyLIUZOFBZJBVXTL-UHFFFAOYSA-N
MW474.01 g/mol
LogP5.90
Rot. Bonds7

About butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+)

butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+) (PubChem CID 153433923) has the molecular formula C18H37HfN3 and a molecular weight of 474.01 g/mol. Its IUPAC name is butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+).

Molecular Properties

Compound Namebutan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+)
PubChem CID153433923
Molecular FormulaC18H37HfN3
Molecular Weight474.01 g/mol
Exact Mass475.25
IUPAC Namebutan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+)
SMILESCCC(C)[N-]CCC1=CC=CC1.CC[N-]C.CC[N-]C.[CH3-].[Hf+4]
InChIInChI=1S/C11H18N.2C3H8N.CH3.Hf/c1-3-10(2)12-9-8-11-6-4-5-7-11;2*1-3-4-2;;/h4-6,10H,3,7-9H2,1-2H3;2*3H2,1-2H3;1H3;/q4*-1;+4
InChIKeyLIUZOFBZJBVXTL-UHFFFAOYSA-N
XLogP5.90
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.01
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+) with MolForge

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Related Compounds

carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+)
CID 153433922
carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+)
CID 153433949
butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;ethyl(methyl)azanide;titanium(4+)
CID 153433912
butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;ethyl(methyl)azanide;zirconium(4+)
CID 153433993
carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;bis(dimethylazanide);hafnium(4+)
CID 153433992
carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+)
CID 153433987
butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+)
CID 153433971
1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
CID 12744927
1-(2-methylbutyl)cyclopenta-1,3-diene
CID 12615007
1-ethylcyclopenta-1,3-diene
CID 528166
1-(2-methylpropyl)cyclopenta-1,3-diene
CID 528164
1-(2-chloroethyl)cyclopenta-1,3-diene
CID 67710755

Frequently Asked Questions

What is the IUPAC name of butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+)?
The IUPAC name of butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+) (CID 153433923) is butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+).
What is the SMILES notation for butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+)?
The canonical SMILES for butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+) is CCC(C)[N-]CCC1=CC=CC1.CC[N-]C.CC[N-]C.[CH3-].[Hf+4].
What is the InChIKey of butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+)?
The InChIKey is LIUZOFBZJBVXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N.2C3H8N.CH3.Hf/c1-3-10(2)12-9-8-11-6-4-5-7-11;2*1-3-4-2;;/h4-6,10H,3,7-9H2,1-2H3;2*3H2,1-2H3;1H3;/q4*-1;+4.
What are the key properties of butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+)?
butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+) has a molecular weight of 474.01 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+) is sourced from PubChem (CID 153433923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).