N,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide

C14H23IrN2 — CID 59359567

IUPACN,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide
SMILESC/[C-]=C(C)/C(C)=N/C.C=C([N-]C)/C(C)=[C-]/C.[Ir+3]
InChIInChI=1S/C7H12N.C7H11N.Ir/c2*1-5-6(2)7(3)8-4;/h1-4H3;3H2,1-2,4H3;/q-1;-2;+3/b8-7+;;
InChIKeyRGZPYGQJMYBYAQ-MIIBGCIDSA-N
MW411.57 g/mol
LogP4.12
Rot. Bonds3

About N,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide

N,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide (PubChem CID 59359567) has the molecular formula C14H23IrN2 and a molecular weight of 411.57 g/mol. Its IUPAC name is N,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide.

Molecular Properties

Compound NameN,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide
PubChem CID59359567
Molecular FormulaC14H23IrN2
Molecular Weight411.57 g/mol
Exact Mass412.15
IUPAC NameN,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide
SMILESC/[C-]=C(C)/C(C)=N/C.C=C([N-]C)/C(C)=[C-]/C.[Ir+3]
InChIInChI=1S/C7H12N.C7H11N.Ir/c2*1-5-6(2)7(3)8-4;/h1-4H3;3H2,1-2,4H3;/q-1;-2;+3/b8-7+;;
InChIKeyRGZPYGQJMYBYAQ-MIIBGCIDSA-N
XLogP4.12
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide?
The IUPAC name of N,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide (CID 59359567) is N,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide.
What is the SMILES notation for N,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide?
The canonical SMILES for N,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide is C/[C-]=C(C)/C(C)=N/C.C=C([N-]C)/C(C)=[C-]/C.[Ir+3].
What is the InChIKey of N,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide?
The InChIKey is RGZPYGQJMYBYAQ-MIIBGCIDSA-N. The full InChI is InChI=1S/C7H12N.C7H11N.Ir/c2*1-5-6(2)7(3)8-4;/h1-4H3;3H2,1-2,4H3;/q-1;-2;+3/b8-7+;;.
What are the key properties of N,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide?
N,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide has a molecular weight of 411.57 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylpent-3-en-2-imine;iridium(3+);methyl(3-methylpenta-1,3-dien-2-yl)azanide is sourced from PubChem (CID 59359567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).