propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)

C11H21Cl3N2Ti — CID 140501280

IUPACpropyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
SMILESCCC/N=C(C)/C=C(/C)[N-]CCC.Cl[Ti+](Cl)Cl
InChIInChI=1S/C11H21N2.3ClH.Ti/c1-5-7-12-10(3)9-11(4)13-8-6-2;;;;/h9H,5-8H2,1-4H3;3*1H;/q-1;;;;+4/p-3/b10-9-,13-11+;;;;
InChIKeyUDTYRTGUVKBZEI-CAVYWCIFSA-K
MW335.53 g/mol
LogP5.61
Rot. Bonds6

About propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)

propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) (PubChem CID 140501280) has the molecular formula C11H21Cl3N2Ti and a molecular weight of 335.53 g/mol. Its IUPAC name is propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+).

Molecular Properties

Compound Namepropyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
PubChem CID140501280
Molecular FormulaC11H21Cl3N2Ti
Molecular Weight335.53 g/mol
Exact Mass334.02
IUPAC Namepropyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
SMILESCCC/N=C(C)/C=C(/C)[N-]CCC.Cl[Ti+](Cl)Cl
InChIInChI=1S/C11H21N2.3ClH.Ti/c1-5-7-12-10(3)9-11(4)13-8-6-2;;;;/h9H,5-8H2,1-4H3;3*1H;/q-1;;;;+4/p-3/b10-9-,13-11+;;;;
InChIKeyUDTYRTGUVKBZEI-CAVYWCIFSA-K
XLogP5.61
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.53
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) 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

methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
CID 58635679
Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
CID 123973310
CID 123973310
tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
CID 140501196
ethane;(2Z)-1-ethenyl-2-ethylidene-3,6-dimethylpyrazine;methane
CID 141771480
(Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 148722617
(Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587303
(Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 154587308
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine
CID 154587312
(Z)-N-di(propan-2-yl)alumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 154587317
(Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 154587327
(Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 154587330

Frequently Asked Questions

What is the IUPAC name of propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)?
The IUPAC name of propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) (CID 140501280) is propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+).
What is the SMILES notation for propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)?
The canonical SMILES for propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) is CCC/N=C(C)/C=C(/C)[N-]CCC.Cl[Ti+](Cl)Cl.
What is the InChIKey of propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)?
The InChIKey is UDTYRTGUVKBZEI-CAVYWCIFSA-K. The full InChI is InChI=1S/C11H21N2.3ClH.Ti/c1-5-7-12-10(3)9-11(4)13-8-6-2;;;;/h9H,5-8H2,1-4H3;3*1H;/q-1;;;;+4/p-3/b10-9-,13-11+;;;;.
What are the key properties of propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)?
propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) has a molecular weight of 335.53 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) is sourced from PubChem (CID 140501280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).