carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+)

C18H37N3Zr — CID 153433987

IUPACcarbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+)
SMILESCC[N-]C.CC[N-]C.CC[N-]CCCCC1=CC=CC1.[CH3-].[Zr+4]
InChIInChI=1S/C11H18N.2C3H8N.CH3.Zr/c1-2-12-10-6-5-9-11-7-3-4-8-11;2*1-3-4-2;;/h3-4,7H,2,5-6,8-10H2,1H3;2*3H2,1-2H3;1H3;/q4*-1;+4
InChIKeyOWQOGICUXCCREW-UHFFFAOYSA-N
MW386.74 g/mol
LogP5.90
Rot. Bonds8

About carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+)

carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+) (PubChem CID 153433987) has the molecular formula C18H37N3Zr and a molecular weight of 386.74 g/mol. Its IUPAC name is carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+).

Molecular Properties

Compound Namecarbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+)
PubChem CID153433987
Molecular FormulaC18H37N3Zr
Molecular Weight386.74 g/mol
Exact Mass385.20
IUPAC Namecarbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+)
SMILESCC[N-]C.CC[N-]C.CC[N-]CCCCC1=CC=CC1.[CH3-].[Zr+4]
InChIInChI=1S/C11H18N.2C3H8N.CH3.Zr/c1-2-12-10-6-5-9-11-7-3-4-8-11;2*1-3-4-2;;/h3-4,7H,2,5-6,8-10H2,1H3;2*3H2,1-2H3;1H3;/q4*-1;+4
InChIKeyOWQOGICUXCCREW-UHFFFAOYSA-N
XLogP5.90
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.74
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;bis(dimethylazanide);hafnium(4+)
CID 153433992
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-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+)
CID 153433923
carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+)
CID 153433922
1-(4-iodobutyl)cyclopenta-1,3-diene
CID 158882988
1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
CID 12744927
11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid
CID 122366149
3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)silane
CID 162074048
1-ethylcyclopenta-1,3-diene
CID 528166
1-(2-chloroethyl)cyclopenta-1,3-diene
CID 67710755
carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride
CID 87682441
1-[6-(methoxymethoxy)hexyl]cyclopenta-1,3-diene
CID 101032482

Frequently Asked Questions

What is the IUPAC name of carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+)?
The IUPAC name of carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+) (CID 153433987) is carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+).
What is the SMILES notation for carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+)?
The canonical SMILES for carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+) is CC[N-]C.CC[N-]C.CC[N-]CCCCC1=CC=CC1.[CH3-].[Zr+4].
What is the InChIKey of carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+)?
The InChIKey is OWQOGICUXCCREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N.2C3H8N.CH3.Zr/c1-2-12-10-6-5-9-11-7-3-4-8-11;2*1-3-4-2;;/h3-4,7H,2,5-6,8-10H2,1H3;2*3H2,1-2H3;1H3;/q4*-1;+4.
What are the key properties of carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+)?
carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+) has a molecular weight of 386.74 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(ethyl)azanide;ethyl(methyl)azanide;zirconium(4+) is sourced from PubChem (CID 153433987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).