2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium)

C31H59N10V3-3 — CID 158152502

IUPAC2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium)
SMILESCN1C2C[N-]CC1C2.CN1CC2CC(C1)[N-]2.CN1CC2CC1C[N-]2.CN1CCN2CC1C2.CN1CN2CCC1CC2.[V].[V].[V]
InChIInChI=1S/C7H14N2.3C6H11N2.C6H12N2.3V/c1-8-6-9-4-2-7(8)3-5-9;1-8-4-5-2-6(8)3-7-5;1-8-3-5-2-6(4-8)7-5;1-8-5-2-6(8)4-7-3-5;1-7-2-3-8-4-6(7)5-8;;;/h7H,2-6H2,1H3;3*5-6H,2-4H2,1H3;6H,2-5H2,1H3;;;/q;3*-1;;;;
InChIKeyMFWFOJPBTQWYLM-UHFFFAOYSA-N
MW724.71 g/mol
LogP1.30
Rot. Bonds

About 2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium)

2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium) (PubChem CID 158152502) has the molecular formula C31H59N10V3-3 and a molecular weight of 724.71 g/mol. Its IUPAC name is 2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium).

Molecular Properties

Compound Name2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium)
PubChem CID158152502
Molecular FormulaC31H59N10V3-3
Molecular Weight724.71 g/mol
Exact Mass724.33
IUPAC Name2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium)
SMILESCN1C2C[N-]CC1C2.CN1CC2CC(C1)[N-]2.CN1CC2CC1C[N-]2.CN1CCN2CC1C2.CN1CN2CCC1CC2.[V].[V].[V]
InChIInChI=1S/C7H14N2.3C6H11N2.C6H12N2.3V/c1-8-6-9-4-2-7(8)3-5-9;1-8-4-5-2-6(8)3-7-5;1-8-3-5-2-6(4-8)7-5;1-8-5-2-6(8)4-7-3-5;1-7-2-3-8-4-6(7)5-8;;;/h7H,2-6H2,1H3;3*5-6H,2-4H2,1H3;6H,2-5H2,1H3;;;/q;3*-1;;;;
InChIKeyMFWFOJPBTQWYLM-UHFFFAOYSA-N
XLogP1.30
TPSA64.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500724.71
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium) with MolForge

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Related Compounds

Carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);tungsten(2+)
CID 157415417
2,5-Dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane
CID 157582080
2,5-Dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane)
CID 159096465
Carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+)
CID 159146379
Carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane;tungsten(2+)
CID 159563963
N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,3-di(propan-2-yl)azetidine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpyrrolidine;3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-methyl-3-propan-2-yl-1,3-diazetidine;bis(1-methyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperidine
CID 160127137
2-Tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane;6-tert-butyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 161189021
2-Methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,6-diazabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane
CID 161699082
Bis(butan-2-yl-[(dimethylamino)methyl]azanide);bis(tert-butyl-[(dimethylamino)methyl]azanide);bis(tert-butyl-[3-(dimethylamino)-2-methylpropyl]azanide);bis(tert-butyl-[3-(dimethylamino)propyl]azanide);cobalt;bis(2-(diethylamino)ethyl-ethylazanide);bis((dimethylamino)methyl-propan-2-ylazanide);bis([3-(dimethylamino)-2-methylpropyl]-propan-2-ylazanide);bis(3-(dimethylamino)propyl-propan-2-ylazanide)
CID 162279623
Bis(butan-2-yl-[(dimethylamino)methyl]azanide);bis(tert-butyl-[(dimethylamino)methyl]azanide);bis(tert-butyl-[3-(dimethylamino)-2-methylpropyl]azanide);bis(tert-butyl-[3-(dimethylamino)propyl]azanide);bis(2-(diethylamino)ethyl-ethylazanide);bis((dimethylamino)methyl-propan-2-ylazanide);bis([3-(dimethylamino)-2-methylpropyl]-propan-2-ylazanide);bis(3-(dimethylamino)propyl-propan-2-ylazanide);manganese
CID 162279625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium)?
The IUPAC name of 2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium) (CID 158152502) is 2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium).
What is the SMILES notation for 2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium)?
The canonical SMILES for 2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium) is CN1C2C[N-]CC1C2.CN1CC2CC(C1)[N-]2.CN1CC2CC1C[N-]2.CN1CCN2CC1C2.CN1CN2CCC1CC2.[V].[V].[V].
What is the InChIKey of 2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium)?
The InChIKey is MFWFOJPBTQWYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.3C6H11N2.C6H12N2.3V/c1-8-6-9-4-2-7(8)3-5-9;1-8-4-5-2-6(8)3-7-5;1-8-3-5-2-6(4-8)7-5;1-8-5-2-6(8)4-7-3-5;1-7-2-3-8-4-6(7)5-8;;;/h7H,2-6H2,1H3;3*5-6H,2-4H2,1H3;6H,2-5H2,1H3;;;/q;3*-1;;;;.
What are the key properties of 2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium)?
2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium) has a molecular weight of 724.71 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-aza-5-azanidabicyclo[2.2.1]heptane;3-methyl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-methyl-6-aza-3-azanidabicyclo[3.1.1]heptane;4-methyl-1,4-diazabicyclo[3.1.1]heptane;3-methyl-1,3-diazabicyclo[2.2.2]octane;tris(vanadium) is sourced from PubChem (CID 158152502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).