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

C17H35GaN2 — CID 166498023

IUPAC(Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
SMILESCCC[Ga](CCC)N(CC)/C(=C\C(CC)=N\CC)CC
InChIInChI=1S/C11H21N2.2C3H7.Ga/c1-5-10(12-7-3)9-11(6-2)13-8-4;2*1-3-2;/h9H,5-8H2,1-4H3;2*1,3H2,2H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeySPALOSSMSQOLRE-PKMVWEJNSA-N
MW337.20 g/mol
LogP5.28
Rot. Bonds11

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

(Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine (PubChem CID 166498023) has the molecular formula C17H35GaN2 and a molecular weight of 337.20 g/mol. Its IUPAC name is (Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
PubChem CID166498023
Molecular FormulaC17H35GaN2
Molecular Weight337.20 g/mol
Exact Mass336.21
IUPAC Name(Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
SMILESCCC[Ga](CCC)N(CC)/C(=C\C(CC)=N\CC)CC
InChIInChI=1S/C11H21N2.2C3H7.Ga/c1-5-10(12-7-3)9-11(6-2)13-8-4;2*1-3-2;/h9H,5-8H2,1-4H3;2*1,3H2,2H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeySPALOSSMSQOLRE-PKMVWEJNSA-N
XLogP5.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.20
LogP ≤ 55.28
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(4-N-methylimino-2-methylamino-2-pentene)bis(ethylamido) zirconium
CID 139130802
tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+)
CID 140545989
(Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 153097017
[(Z)-but-2-en-2-yl]-[(E)-pent-3-en-2-ylidene]-propylazanium;ethane
CID 153404291
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine
CID 154587302
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine
CID 154587304
(Z)-N-dideuterioalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587306
(Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587314
(Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 154587331
(Z)-N-dimethylalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587336
(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587348
(Z)-N-dimethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 154587349

Frequently Asked Questions

What is the IUPAC name of (Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The IUPAC name of (Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine (CID 166498023) is (Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The canonical SMILES for (Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine is CCC[Ga](CCC)N(CC)/C(=C\C(CC)=N\CC)CC.
What is the InChIKey of (Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The InChIKey is SPALOSSMSQOLRE-PKMVWEJNSA-N. The full InChI is InChI=1S/C11H21N2.2C3H7.Ga/c1-5-10(12-7-3)9-11(6-2)13-8-4;2*1-3-2;/h9H,5-8H2,1-4H3;2*1,3H2,2H3;/q-1;;;+1/b10-9-,13-11+;;;.
What are the key properties of (Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
(Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine has a molecular weight of 337.20 g/mol, XLogP of 5.28, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-dipropylgallanyl-N-ethyl-5-ethyliminohept-3-en-3-amine is sourced from PubChem (CID 166498023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).