calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)

C14H28CaN4+2 — CID 59137869

IUPACcalcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)
SMILESC[N-]/C(C)=C\C(C)=[NH+]\C.C[N-]/C(C)=C\C(C)=[NH+]\C.[Ca+2]
InChIInChI=1S/2C7H13N2.Ca/c2*1-6(8-3)5-7(2)9-4;/h2*5H,1-4H3;/q2*-1;+2/p+2/b2*6-5-,9-7+;
InChIKeyPAIINGRIUSJPHD-UVZXAKGHSA-P
MW292.48 g/mol
LogP-0.25
Rot. Bonds4

About calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)

calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide) (PubChem CID 59137869) has the molecular formula C14H28CaN4+2 and a molecular weight of 292.48 g/mol. Its IUPAC name is calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide).

Molecular Properties

Compound Namecalcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)
PubChem CID59137869
Molecular FormulaC14H28CaN4+2
Molecular Weight292.48 g/mol
Exact Mass292.19
IUPAC Namecalcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)
SMILESC[N-]/C(C)=C\C(C)=[NH+]\C.C[N-]/C(C)=C\C(C)=[NH+]\C.[Ca+2]
InChIInChI=1S/2C7H13N2.Ca/c2*1-6(8-3)5-7(2)9-4;/h2*5H,1-4H3;/q2*-1;+2/p+2/b2*6-5-,9-7+;
InChIKeyPAIINGRIUSJPHD-UVZXAKGHSA-P
XLogP-0.25
TPSA56.14 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.48
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(Methylamino)-4-(methylimino)-pentene-2
CID 14983634
(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
N-Methyl-4-(methylimino)-2-penten-2-amine
CID 72320248
(E)-N-methyl-4-methyliminopent-2-en-2-amine
CID 19374182
strontium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)
CID 59137867
barium(2+);bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)
CID 59137870
tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)
CID 59137871
(2E,6Z,9E,13Z)-5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
CID 69478667
(2Z,6Z,9Z,13Z)-5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
CID 69478668
5,7,12,14-Tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
CID 69478671
N-ethyl-4-ethyliminopent-2-en-2-amine
CID 72526443
N-ethyl-4-methyliminopent-2-en-2-amine
CID 76225419

Frequently Asked Questions

What is the IUPAC name of calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)?
The IUPAC name of calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide) (CID 59137869) is calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide).
What is the SMILES notation for calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)?
The canonical SMILES for calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide) is C[N-]/C(C)=C\C(C)=[NH+]\C.C[N-]/C(C)=C\C(C)=[NH+]\C.[Ca+2].
What is the InChIKey of calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)?
The InChIKey is PAIINGRIUSJPHD-UVZXAKGHSA-P. The full InChI is InChI=1S/2C7H13N2.Ca/c2*1-6(8-3)5-7(2)9-4;/h2*5H,1-4H3;/q2*-1;+2/p+2/b2*6-5-,9-7+;.
What are the key properties of calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide)?
calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide) has a molecular weight of 292.48 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium bis(methyl-[(Z)-4-methylazaniumylidenepent-2-en-2-yl]azanide) is sourced from PubChem (CID 59137869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).