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

C15H31N3Ti — CID 153433922

IUPACcarbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+)
SMILESCC(C)[N-]CCC1=CC=CC1.C[N-]C.C[N-]C.[CH3-].[Ti+4]
InChIInChI=1S/C10H16N.2C2H6N.CH3.Ti/c1-9(2)11-8-7-10-5-3-4-6-10;2*1-3-2;;/h3-5,9H,6-8H2,1-2H3;2*1-2H3;1H3;/q4*-1;+4
InChIKeyDZXOYLJTEPPUIY-UHFFFAOYSA-N
MW301.30 g/mol
LogP4.73
Rot. Bonds4

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

carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+) (PubChem CID 153433922) has the molecular formula C15H31N3Ti and a molecular weight of 301.30 g/mol. Its IUPAC name is carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+).

Molecular Properties

Compound Namecarbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+)
PubChem CID153433922
Molecular FormulaC15H31N3Ti
Molecular Weight301.30 g/mol
Exact Mass301.20
IUPAC Namecarbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+)
SMILESCC(C)[N-]CCC1=CC=CC1.C[N-]C.C[N-]C.[CH3-].[Ti+4]
InChIInChI=1S/C10H16N.2C2H6N.CH3.Ti/c1-9(2)11-8-7-10-5-3-4-6-10;2*1-3-2;;/h3-5,9H,6-8H2,1-2H3;2*1-2H3;1H3;/q4*-1;+4
InChIKeyDZXOYLJTEPPUIY-UHFFFAOYSA-N
XLogP4.73
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+) with MolForge

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Launch Full Analysis

Related Compounds

CID 138976296
CID 138976296
N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine
CID 15514429
N-(2-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 12178792
2-Cyclopenta-1,3-dien-1-ylethyl(trimethyl)azanium
CID 12770375
N-(1-cyclopenta-1,3-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 13212526
N-(2-cyclopenta-1,3-dien-1-ylethyl)propan-2-amine
CID 13953202
N-(cyclohexa-1,3-dien-1-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 23559560
N,N-diethyl-5,6-dihydro-1H-inden-1-amine
CID 57245906
1-Propan-2-yl-2,3,4,7-tetrahydrocyclopenta[b]pyridine
CID 58157150
2-Propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine
CID 58157206
1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 70022649
1,2-Dimethyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine
CID 70257531

Frequently Asked Questions

What is the IUPAC name of carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+)?
The IUPAC name of carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+) (CID 153433922) is carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+).
What is the SMILES notation for carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+)?
The canonical SMILES for carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+) is CC(C)[N-]CCC1=CC=CC1.C[N-]C.C[N-]C.[CH3-].[Ti+4].
What is the InChIKey of carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+)?
The InChIKey is DZXOYLJTEPPUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.2C2H6N.CH3.Ti/c1-9(2)11-8-7-10-5-3-4-6-10;2*1-3-2;;/h3-5,9H,6-8H2,1-2H3;2*1-2H3;1H3;/q4*-1;+4.
What are the key properties of carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+)?
carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+) has a molecular weight of 301.30 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-cyclopenta-1,3-dien-1-ylethyl(propan-2-yl)azanide;bis(dimethylazanide);titanium(4+) is sourced from PubChem (CID 153433922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).