(Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine

C15H31GaN2 — CID 166498028

IUPAC(Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine
SMILESCCC/N=C(C)/C=C(/C)N(CCC)[Ga](CC)CC
InChIInChI=1S/C11H21N2.2C2H5.Ga/c1-5-7-12-10(3)9-11(4)13-8-6-2;2*1-2;/h9H,5-8H2,1-4H3;2*1H2,2H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeyIYGBHWPOKLKDAE-PKMVWEJNSA-N
MW309.15 g/mol
LogP4.50
Rot. Bonds9

About (Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine

(Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine (PubChem CID 166498028) has the molecular formula C15H31GaN2 and a molecular weight of 309.15 g/mol. Its IUPAC name is (Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine
PubChem CID166498028
Molecular FormulaC15H31GaN2
Molecular Weight309.15 g/mol
Exact Mass308.17
IUPAC Name(Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine
SMILESCCC/N=C(C)/C=C(/C)N(CCC)[Ga](CC)CC
InChIInChI=1S/C11H21N2.2C2H5.Ga/c1-5-7-12-10(3)9-11(4)13-8-6-2;2*1-2;/h9H,5-8H2,1-4H3;2*1H2,2H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeyIYGBHWPOKLKDAE-PKMVWEJNSA-N
XLogP4.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.50
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

(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
Bis(4-N-methylimino-2-methylamino-2-pentene)bis(ethylamido) zirconium
CID 139130802
1,2,4,6-tetramethyl-2H-pyrimidine
CID 407923
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
6-methyl-1-(6-methyl-2,3-dihydropyridin-5-yl)-2H-pyridine
CID 123200056
Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
CID 123973310
CID 123973310
4,6-dimethyl-1,3-dipentyl-2H-1,3,2-diazasilin-1-ium
CID 123975647
propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
CID 140501280
tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+)
CID 140545989

Frequently Asked Questions

What is the IUPAC name of (Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine (CID 166498028) is (Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine is CCC/N=C(C)/C=C(/C)N(CCC)[Ga](CC)CC.
What is the InChIKey of (Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine?
The InChIKey is IYGBHWPOKLKDAE-PKMVWEJNSA-N. The full InChI is InChI=1S/C11H21N2.2C2H5.Ga/c1-5-7-12-10(3)9-11(4)13-8-6-2;2*1-2;/h9H,5-8H2,1-4H3;2*1H2,2H3;/q-1;;;+1/b10-9-,13-11+;;;.
What are the key properties of (Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine?
(Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine has a molecular weight of 309.15 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-diethylgallanyl-N-propyl-4-propyliminopent-2-en-2-amine is sourced from PubChem (CID 166498028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).