(Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine

C13H27GaN2 — CID 166498031

IUPAC(Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
SMILESCC/N=C(C)/C=C(/C)N(CC)[Ga](CC)CC
InChIInChI=1S/C9H17N2.2C2H5.Ga/c1-5-10-8(3)7-9(4)11-6-2;2*1-2;/h7H,5-6H2,1-4H3;2*1H2,2H3;/q-1;;;+1/b8-7-,11-9+;;;
InChIKeyHDDPTBLTPBUQCT-IDVPCYQJSA-N
MW281.10 g/mol
LogP3.72
Rot. Bonds7

About (Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine

(Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine (PubChem CID 166498031) has the molecular formula C13H27GaN2 and a molecular weight of 281.10 g/mol. Its IUPAC name is (Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
PubChem CID166498031
Molecular FormulaC13H27GaN2
Molecular Weight281.10 g/mol
Exact Mass280.14
IUPAC Name(Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
SMILESCC/N=C(C)/C=C(/C)N(CC)[Ga](CC)CC
InChIInChI=1S/C9H17N2.2C2H5.Ga/c1-5-10-8(3)7-9(4)11-6-2;2*1-2;/h7H,5-6H2,1-4H3;2*1H2,2H3;/q-1;;;+1/b8-7-,11-9+;;;
InChIKeyHDDPTBLTPBUQCT-IDVPCYQJSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine (CID 166498031) is (Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine is CC/N=C(C)/C=C(/C)N(CC)[Ga](CC)CC.
What is the InChIKey of (Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
The InChIKey is HDDPTBLTPBUQCT-IDVPCYQJSA-N. The full InChI is InChI=1S/C9H17N2.2C2H5.Ga/c1-5-10-8(3)7-9(4)11-6-2;2*1-2;/h7H,5-6H2,1-4H3;2*1H2,2H3;/q-1;;;+1/b8-7-,11-9+;;;.
What are the key properties of (Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
(Z)-N-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-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-diethylgallanyl-N-ethyl-4-ethyliminopent-2-en-2-amine is sourced from PubChem (CID 166498031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).