3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)

C7H13NV — CID 174116308

IUPAC3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)
SMILES[CH2-]C1CN(C)CC1[CH2-].[V+2]
InChIInChI=1S/C7H13N.V/c1-6-4-8(3)5-7(6)2;/h6-7H,1-2,4-5H2,3H3;/q-2;+2
InChIKeySDCUJCWZNLAPRG-UHFFFAOYSA-N
MW162.13 g/mol
LogP0.83
Rot. Bonds

About 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)

3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+) (PubChem CID 174116308) has the molecular formula C7H13NV and a molecular weight of 162.13 g/mol. Its IUPAC name is 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+).

Molecular Properties

Compound Name3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)
PubChem CID174116308
Molecular FormulaC7H13NV
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Name3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)
SMILES[CH2-]C1CN(C)CC1[CH2-].[V+2]
InChIInChI=1S/C7H13N.V/c1-6-4-8(3)5-7(6)2;/h6-7H,1-2,4-5H2,3H3;/q-2;+2
InChIKeySDCUJCWZNLAPRG-UHFFFAOYSA-N
XLogP0.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane
CID 178147119
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;nobelium
CID 177010244
[(3S)-1-methyl-4-phosphanylpyrrolidin-3-yl]phosphane
CID 129235133
3-bromo-1-methylazetidine
CID 164545813
(1-methyl-4-phosphanylpyrrolidin-3-yl)phosphane
CID 169203872
(3S,4S)-3,4-difluoro-1-methylpyrrolidine
CID 70308023
4-(difluoromethyl)-3-methanidyl-1-methylpiperidine;ethane;nobelium
CID 177009918
1,2,4,6-tetramethylpiperazine
CID 22088083
2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 20627088
(3R,4R)-3,4-dimethoxy-1-methylpyrrolidine
CID 59319954
2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)?
The IUPAC name of 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+) (CID 174116308) is 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+).
What is the SMILES notation for 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)?
The canonical SMILES for 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+) is [CH2-]C1CN(C)CC1[CH2-].[V+2].
What is the InChIKey of 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)?
The InChIKey is SDCUJCWZNLAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.V/c1-6-4-8(3)5-7(6)2;/h6-7H,1-2,4-5H2,3H3;/q-2;+2.
What are the key properties of 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)?
3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+) has a molecular weight of 162.13 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+) is sourced from PubChem (CID 174116308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).