methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)

C7H13Cl3N2Ti — CID 58635679

IUPACmethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
SMILESC/N=C(C)/C=C(/C)[N-]C.Cl[Ti+](Cl)Cl
InChIInChI=1S/C7H13N2.3ClH.Ti/c1-6(8-3)5-7(2)9-4;;;;/h5H,1-4H3;3*1H;/q-1;;;;+4/p-3/b6-5-,9-7+;;;;
InChIKeyNMIBXRJUXKHQJG-OORDTNKISA-K
MW279.42 g/mol
LogP4.05
Rot. Bonds2

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

methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) (PubChem CID 58635679) has the molecular formula C7H13Cl3N2Ti and a molecular weight of 279.42 g/mol. Its IUPAC name is methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+).

Molecular Properties

Compound Namemethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
PubChem CID58635679
Molecular FormulaC7H13Cl3N2Ti
Molecular Weight279.42 g/mol
Exact Mass277.96
IUPAC Namemethyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
SMILESC/N=C(C)/C=C(/C)[N-]C.Cl[Ti+](Cl)Cl
InChIInChI=1S/C7H13N2.3ClH.Ti/c1-6(8-3)5-7(2)9-4;;;;/h5H,1-4H3;3*1H;/q-1;;;;+4/p-3/b6-5-,9-7+;;;;
InChIKeyNMIBXRJUXKHQJG-OORDTNKISA-K
XLogP4.05
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
CID 58104814
(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 123811273
2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 123896764
propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
CID 140501280
(Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 154587322
(Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 154587326
(Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine
CID 154587351
(Z)-N-dipropylindiganyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 166498034
(Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 166498046
(Z)-N-dimethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 166498056
(Z)-N-diethylindiganyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 166498067
(Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 166498073

Frequently Asked Questions

What is the IUPAC name of methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)?
The IUPAC name of methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) (CID 58635679) is methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+).
What is the SMILES notation for methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)?
The canonical SMILES for methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) is C/N=C(C)/C=C(/C)[N-]C.Cl[Ti+](Cl)Cl.
What is the InChIKey of methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)?
The InChIKey is NMIBXRJUXKHQJG-OORDTNKISA-K. The full InChI is InChI=1S/C7H13N2.3ClH.Ti/c1-6(8-3)5-7(2)9-4;;;;/h5H,1-4H3;3*1H;/q-1;;;;+4/p-3/b6-5-,9-7+;;;;.
What are the key properties of methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)?
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) has a molecular weight of 279.42 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) is sourced from PubChem (CID 58635679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).