1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium

C8H12NV- — CID 59577849

IUPAC1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium
SMILES[H]/[C-]=C(CC)/C(C)=N\C(C)=[V]
InChIInChI=1S/C8H12N.V/c1-5-7(3)8(4)9-6-2;/h3H,5H2,1-2,4H3;/q-1;
InChIKeyPLRXTOXRTBAVKI-UHFFFAOYSA-N
MW173.13 g/mol
LogP1.91
Rot. Bonds3

About 1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium

1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium (PubChem CID 59577849) has the molecular formula C8H12NV- and a molecular weight of 173.13 g/mol. Its IUPAC name is 1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium.

Molecular Properties

Compound Name1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium
PubChem CID59577849
Molecular FormulaC8H12NV-
Molecular Weight173.13 g/mol
Exact Mass173.04
IUPAC Name1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium
SMILES[H]/[C-]=C(CC)/C(C)=N\C(C)=[V]
InChIInChI=1S/C8H12N.V/c1-5-7(3)8(4)9-6-2;/h3H,5H2,1-2,4H3;/q-1;
InChIKeyPLRXTOXRTBAVKI-UHFFFAOYSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 51.91
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'}

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Related Compounds

N,3-dimethylbut-3-en-2-imine
CID 58175910
N,2-dimethylpent-1-en-3-imine
CID 90982396
N,4-dimethyl-3-methylidenepent-4-en-2-imine
CID 91061393
N-methyl-3-methylidenepentan-2-imine
CID 123504355
N-methyl-4-methylidenehexan-3-imine
CID 123726902
N,3-dimethylbut-3-en-2-imine;ethane
CID 141930815
ethene;N-methyl-3-methylidenepentan-2-imine
CID 178053052
1-(3-Methylidenepentan-2-ylideneamino)ethylidenevanadium
CID 59577850
N-tert-butyl-3-methylbut-3-en-2-imine
CID 85630945
N-methyl-3-methylidenehexan-2-imine
CID 142363648
N,2,4-trimethylpenta-1,4-dien-3-imine
CID 143342590

Frequently Asked Questions

What is the IUPAC name of 1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium?
The IUPAC name of 1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium (CID 59577849) is 1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium.
What is the SMILES notation for 1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium?
The canonical SMILES for 1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium is [H]/[C-]=C(CC)/C(C)=N\C(C)=[V].
What is the InChIKey of 1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium?
The InChIKey is PLRXTOXRTBAVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.V/c1-5-7(3)8(4)9-6-2;/h3H,5H2,1-2,4H3;/q-1;.
What are the key properties of 1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium?
1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium has a molecular weight of 173.13 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methanidylidenepentan-2-ylideneamino)ethylidenevanadium is sourced from PubChem (CID 59577849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).