(Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine

C11H23GaN2 — CID 166498073

IUPAC(Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine
SMILESCC[Ga](CC)N(C)/C(C)=C\C(C)=N\C
InChIInChI=1S/C7H13N2.2C2H5.Ga/c1-6(8-3)5-7(2)9-4;2*1-2;/h5H,1-4H3;2*1H2,2H3;/q-1;;;+1/b6-5-,9-7+;;;
InChIKeyQNQGZUYGSDYVEN-LAQJPSDGSA-N
MW253.04 g/mol
LogP2.94
Rot. Bonds5

About (Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine

(Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine (PubChem CID 166498073) has the molecular formula C11H23GaN2 and a molecular weight of 253.04 g/mol. Its IUPAC name is (Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine
PubChem CID166498073
Molecular FormulaC11H23GaN2
Molecular Weight253.04 g/mol
Exact Mass252.11
IUPAC Name(Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine
SMILESCC[Ga](CC)N(C)/C(C)=C\C(C)=N\C
InChIInChI=1S/C7H13N2.2C2H5.Ga/c1-6(8-3)5-7(2)9-4;2*1-2;/h5H,1-4H3;2*1H2,2H3;/q-1;;;+1/b6-5-,9-7+;;;
InChIKeyQNQGZUYGSDYVEN-LAQJPSDGSA-N
XLogP2.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.04
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bis(mu2-hydrido)-bis(N,N'-dimethylpentane-2,4-diiminato-N,N')-di-magnesium(II)
CID 46238547
dimagnesium;hydride;bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 129892958
Bis(4-N-methylimino-2-N-methylamino-2-pentene)bis(dimethylamido) zirconium(IV)
CID 139130801
manganese(2+);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 162406733
[(Z)-4-tert-butyliminopent-2-en-2-yl]-methylazanide
CID 58104802
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
CID 58104814
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
CID 58635679
tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)
CID 59137871
(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782212
N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560398
1,4,6-Trimethyl-2-methylidenepyrimidine
CID 123254644
Methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium
CID 123554348

Frequently Asked Questions

What is the IUPAC name of (Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine (CID 166498073) is (Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine is CC[Ga](CC)N(C)/C(C)=C\C(C)=N\C.
What is the InChIKey of (Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The InChIKey is QNQGZUYGSDYVEN-LAQJPSDGSA-N. The full InChI is InChI=1S/C7H13N2.2C2H5.Ga/c1-6(8-3)5-7(2)9-4;2*1-2;/h5H,1-4H3;2*1H2,2H3;/q-1;;;+1/b6-5-,9-7+;;;.
What are the key properties of (Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine?
(Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine has a molecular weight of 253.04 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-diethylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 166498073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).