(Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine

C13H27GaN2 — CID 166498130

IUPAC(Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
SMILESCC/N=C(/C=C(/CC)N(CC)[Ga](C)C)CC
InChIInChI=1S/C11H21N2.2CH3.Ga/c1-5-10(12-7-3)9-11(6-2)13-8-4;;;/h9H,5-8H2,1-4H3;2*1H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeyYEJVXLQKCVZHFK-PKMVWEJNSA-N
MW281.10 g/mol
LogP3.72
Rot. Bonds7

About (Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine

(Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine (PubChem CID 166498130) has the molecular formula C13H27GaN2 and a molecular weight of 281.10 g/mol. Its IUPAC name is (Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
PubChem CID166498130
Molecular FormulaC13H27GaN2
Molecular Weight281.10 g/mol
Exact Mass280.14
IUPAC Name(Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
SMILESCC/N=C(/C=C(/CC)N(CC)[Ga](C)C)CC
InChIInChI=1S/C11H21N2.2CH3.Ga/c1-5-10(12-7-3)9-11(6-2)13-8-4;;;/h9H,5-8H2,1-4H3;2*1H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeyYEJVXLQKCVZHFK-PKMVWEJNSA-N
XLogP3.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.72
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-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine
CID 166498096
(Z)-N-dimethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 154587349
(Z)-5-[dimethylgallanyl(propyl)amino]hept-4-en-3-one
CID 166498032
(E)-N-ethyl-5-methoxyhept-4-en-3-imine
CID 176925896
(Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 166498031
(Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine
CID 154587361
O-(N'-ethylcarbamimidoyl) carbamothioate
CID 21150656
1-N-ethyl-2-N-pentylbutane-1,2-diimine
CID 91053831
2-amino-2-ethyliminoacetic acid
CID 12538241
CID 164812836
CID 164812836
N-ethylpropanimidoyl iodide
CID 134920122
2-(dimethylamino)-N'-ethylethanimidamide
CID 22980368

Frequently Asked Questions

What is the IUPAC name of (Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The IUPAC name of (Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine (CID 166498130) is (Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The canonical SMILES for (Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine is CC/N=C(/C=C(/CC)N(CC)[Ga](C)C)CC.
What is the InChIKey of (Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The InChIKey is YEJVXLQKCVZHFK-PKMVWEJNSA-N. The full InChI is InChI=1S/C11H21N2.2CH3.Ga/c1-5-10(12-7-3)9-11(6-2)13-8-4;;;/h9H,5-8H2,1-4H3;2*1H3;/q-1;;;+1/b10-9-,13-11+;;;.
What are the key properties of (Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
(Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine has a molecular weight of 281.10 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-dimethylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine is sourced from PubChem (CID 166498130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).