3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+))

C37H72N4V3 — CID 159509561

IUPAC3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+))
SMILESC.CC1C2CN(C(C)C)CC12.[CH2-]C1([CH2-])CN(C)C1.[CH2-]CC1([CH2-])CCN(C(C)C)C1.[CH2-]CCC1([CH2-])CCN(C(C)C)C1.[V+2].[V+2].[V+2]
InChIInChI=1S/C11H21N.C10H19N.C9H17N.C6H11N.CH4.3V/c1-5-6-11(4)7-8-12(9-11)10(2)3;1-5-10(4)6-7-11(8-10)9(2)3;1-6(2)10-4-8-7(3)9(8)5-10;1-6(2)4-7(3)5-6;;;;/h10H,1,4-9H2,2-3H3;9H,1,4-8H2,2-3H3;6-9H,4-5H2,1-3H3;1-2,4-5H2,3H3;1H4;;;/q2*-2;;-2;;3*+2
InChIKeyMAKRFGDYFPMASR-UHFFFAOYSA-N
MW725.84 g/mol
LogP7.49
Rot. Bonds6

About 3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+))

3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+)) (PubChem CID 159509561) has the molecular formula C37H72N4V3 and a molecular weight of 725.84 g/mol. Its IUPAC name is 3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+)).

Molecular Properties

Compound Name3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+))
PubChem CID159509561
Molecular FormulaC37H72N4V3
Molecular Weight725.84 g/mol
Exact Mass725.41
IUPAC Name3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+))
SMILESC.CC1C2CN(C(C)C)CC12.[CH2-]C1([CH2-])CN(C)C1.[CH2-]CC1([CH2-])CCN(C(C)C)C1.[CH2-]CCC1([CH2-])CCN(C(C)C)C1.[V+2].[V+2].[V+2]
InChIInChI=1S/C11H21N.C10H19N.C9H17N.C6H11N.CH4.3V/c1-5-6-11(4)7-8-12(9-11)10(2)3;1-5-10(4)6-7-11(8-10)9(2)3;1-6(2)10-4-8-7(3)9(8)5-10;1-6(2)4-7(3)5-6;;;;/h10H,1,4-9H2,2-3H3;9H,1,4-8H2,2-3H3;6-9H,4-5H2,1-3H3;1-2,4-5H2,3H3;1H4;;;/q2*-2;;-2;;3*+2
InChIKeyMAKRFGDYFPMASR-UHFFFAOYSA-N
XLogP7.49
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.84
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+)) with MolForge

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Related Compounds

Hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);5-propan-2-yl-5-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[2.5]octane;bis(6-propan-2-yl-6-azaspiro[3.4]octane)
CID 158441639
Hexakis(2-methylpropane);bis(5-propan-2-yl-5-azaspiro[2.4]heptane);bis(5-propan-2-yl-5-azaspiro[2.5]octane);bis(6-propan-2-yl-6-azaspiro[3.4]octane)
CID 161132003
2,6-Dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane;2,7-dimethyl-2,7-diazaspiro[4.4]nonane
CID 165001910

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+))?
The IUPAC name of 3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+)) (CID 159509561) is 3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+)).
What is the SMILES notation for 3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+))?
The canonical SMILES for 3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+)) is C.CC1C2CN(C(C)C)CC12.[CH2-]C1([CH2-])CN(C)C1.[CH2-]CC1([CH2-])CCN(C(C)C)C1.[CH2-]CCC1([CH2-])CCN(C(C)C)C1.[V+2].[V+2].[V+2].
What is the InChIKey of 3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+))?
The InChIKey is MAKRFGDYFPMASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C10H19N.C9H17N.C6H11N.CH4.3V/c1-5-6-11(4)7-8-12(9-11)10(2)3;1-5-10(4)6-7-11(8-10)9(2)3;1-6(2)10-4-8-7(3)9(8)5-10;1-6(2)4-7(3)5-6;;;;/h10H,1,4-9H2,2-3H3;9H,1,4-8H2,2-3H3;6-9H,4-5H2,1-3H3;1-2,4-5H2,3H3;1H4;;;/q2*-2;;-2;;3*+2.
What are the key properties of 3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+))?
3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+)) has a molecular weight of 725.84 g/mol, XLogP of 7.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethanidyl-1-methylazetidine;3-ethyl-3-methanidyl-1-propan-2-ylpyrrolidine;methane;3-methanidyl-1-propan-2-yl-3-propylpyrrolidine;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tris(vanadium(2+)) is sourced from PubChem (CID 159509561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).