(Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine

C15H31GaN2 — CID 166498096

IUPAC(Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine
SMILESCCC/N=C(/C=C(/CC)N(CCC)[Ga](C)C)CC
InChIInChI=1S/C13H25N2.2CH3.Ga/c1-5-9-14-12(7-3)11-13(8-4)15-10-6-2;;;/h11H,5-10H2,1-4H3;2*1H3;/q-1;;;+1/b12-11-,15-13+;;;
InChIKeyYEGITGBILZFTTC-OAVNOLDBSA-N
MW309.15 g/mol
LogP4.50
Rot. Bonds9

About (Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine

(Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine (PubChem CID 166498096) has the molecular formula C15H31GaN2 and a molecular weight of 309.15 g/mol. Its IUPAC name is (Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine
PubChem CID166498096
Molecular FormulaC15H31GaN2
Molecular Weight309.15 g/mol
Exact Mass308.17
IUPAC Name(Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine
SMILESCCC/N=C(/C=C(/CC)N(CCC)[Ga](C)C)CC
InChIInChI=1S/C13H25N2.2CH3.Ga/c1-5-9-14-12(7-3)11-13(8-4)15-10-6-2;;;/h11H,5-10H2,1-4H3;2*1H3;/q-1;;;+1/b12-11-,15-13+;;;
InChIKeyYEGITGBILZFTTC-OAVNOLDBSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine?
The IUPAC name of (Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine (CID 166498096) is (Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine?
The canonical SMILES for (Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine is CCC/N=C(/C=C(/CC)N(CCC)[Ga](C)C)CC.
What is the InChIKey of (Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine?
The InChIKey is YEGITGBILZFTTC-OAVNOLDBSA-N. The full InChI is InChI=1S/C13H25N2.2CH3.Ga/c1-5-9-14-12(7-3)11-13(8-4)15-10-6-2;;;/h11H,5-10H2,1-4H3;2*1H3;/q-1;;;+1/b12-11-,15-13+;;;.
What are the key properties of (Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine?
(Z)-N-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-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-dimethylgallanyl-N-propyl-5-propyliminohept-3-en-3-amine is sourced from PubChem (CID 166498096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).