butan-2-yliminoniobium

C4H9NNb — CID 87877810

IUPACbutan-2-yliminoniobium
SMILESCCC(C)N=[Nb]
InChIInChI=1S/C4H9N.Nb/c1-3-4(2)5;/h4H,3H2,1-2H3;
InChIKeyCIGJMLVVBSWLOM-UHFFFAOYSA-N
MW164.03 g/mol
LogP1.52
Rot. Bonds2

About butan-2-yliminoniobium

butan-2-yliminoniobium (PubChem CID 87877810) has the molecular formula C4H9NNb and a molecular weight of 164.03 g/mol. Its IUPAC name is butan-2-yliminoniobium.

Molecular Properties

Compound Namebutan-2-yliminoniobium
PubChem CID87877810
Molecular FormulaC4H9NNb
Molecular Weight164.03 g/mol
Exact Mass163.98
IUPAC Namebutan-2-yliminoniobium
SMILESCCC(C)N=[Nb]
InChIInChI=1S/C4H9N.Nb/c1-3-4(2)5;/h4H,3H2,1-2H3;
InChIKeyCIGJMLVVBSWLOM-UHFFFAOYSA-N
XLogP1.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-ylpropan-2-imine
CID 118347004
N'-butan-2-ylmethanimidamide
CID 13225428
2-methylbutane
CID 159175971
N-butan-2-ylpropan-1-imine;ethane
CID 143076356
2-methylbutane
CID 158117812
N'-butan-2-yl-N,N-dimethylmethanimidamide
CID 6432752
2-[(2R)-butan-2-yl]iminoethanethial
CID 162975785
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
N'-butan-2-yl-N-propan-2-ylethanimidamide
CID 86038990
(Z)-N-[(2R)-butan-2-yl]-2-methylbut-2-en-1-imine
CID 89321973

Frequently Asked Questions

What is the IUPAC name of butan-2-yliminoniobium?
The IUPAC name of butan-2-yliminoniobium (CID 87877810) is butan-2-yliminoniobium.
What is the SMILES notation for butan-2-yliminoniobium?
The canonical SMILES for butan-2-yliminoniobium is CCC(C)N=[Nb].
What is the InChIKey of butan-2-yliminoniobium?
The InChIKey is CIGJMLVVBSWLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.Nb/c1-3-4(2)5;/h4H,3H2,1-2H3;.
What are the key properties of butan-2-yliminoniobium?
butan-2-yliminoniobium has a molecular weight of 164.03 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yliminoniobium is sourced from PubChem (CID 87877810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).