butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+)

C17H35N3Ti — CID 153433971

IUPACbutan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+)
SMILESCCC(C)[N-]CC(C)C1=CC=CC1.C[N-]C.C[N-]C.[CH3-].[Ti+4]
InChIInChI=1S/C12H20N.2C2H6N.CH3.Ti/c1-4-11(3)13-9-10(2)12-7-5-6-8-12;2*1-3-2;;/h5-7,10-11H,4,8-9H2,1-3H3;2*1-2H3;1H3;/q4*-1;+4
InChIKeyUKZCNEARIHUOFN-UHFFFAOYSA-N
MW329.36 g/mol
LogP5.37
Rot. Bonds5

About butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+)

butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+) (PubChem CID 153433971) has the molecular formula C17H35N3Ti and a molecular weight of 329.36 g/mol. Its IUPAC name is butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+).

Molecular Properties

Compound Namebutan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+)
PubChem CID153433971
Molecular FormulaC17H35N3Ti
Molecular Weight329.36 g/mol
Exact Mass329.23
IUPAC Namebutan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+)
SMILESCCC(C)[N-]CC(C)C1=CC=CC1.C[N-]C.C[N-]C.[CH3-].[Ti+4]
InChIInChI=1S/C12H20N.2C2H6N.CH3.Ti/c1-4-11(3)13-9-10(2)12-7-5-6-8-12;2*1-3-2;;/h5-7,10-11H,4,8-9H2,1-3H3;2*1-2H3;1H3;/q4*-1;+4
InChIKeyUKZCNEARIHUOFN-UHFFFAOYSA-N
XLogP5.37
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.36
LogP ≤ 55.37
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-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+) with MolForge

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Related Compounds

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
butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+)
CID 153433923
1-(5-methylheptan-2-yl)cyclopenta-1,3-diene
CID 163645730
2-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 45088275
barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)
CID 173388440
carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+)
CID 153433922
tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
(1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine
CID 138962244
1-(1-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene;ethanolate;titanium(4+)
CID 173327011
carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+)
CID 153433949
1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium
CID 173316758

Frequently Asked Questions

What is the IUPAC name of butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+)?
The IUPAC name of butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+) (CID 153433971) is butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+).
What is the SMILES notation for butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+)?
The canonical SMILES for butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+) is CCC(C)[N-]CC(C)C1=CC=CC1.C[N-]C.C[N-]C.[CH3-].[Ti+4].
What is the InChIKey of butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+)?
The InChIKey is UKZCNEARIHUOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N.2C2H6N.CH3.Ti/c1-4-11(3)13-9-10(2)12-7-5-6-8-12;2*1-3-2;;/h5-7,10-11H,4,8-9H2,1-3H3;2*1-2H3;1H3;/q4*-1;+4.
What are the key properties of butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+)?
butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+) has a molecular weight of 329.36 g/mol, XLogP of 5.37, 5 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-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+) is sourced from PubChem (CID 153433971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).