3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+)

C10H19N2O2Ru+ — CID 169317250

IUPAC3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+)
SMILESC[C-](C)C.[C-]#[N+]CCCN.[CH-]=O.[CH-]=O.[Ru+4]
InChIInChI=1S/C4H8N2.C4H9.2CHO.Ru/c1-6-4-2-3-5;1-4(2)3;2*1-2;/h2-5H2;1-3H3;2*1H;/q;3*-1;+4
InChIKeyBYBCUYZHFPGMIU-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.32
Rot. Bonds2

About 3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+)

3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+) (PubChem CID 169317250) has the molecular formula C10H19N2O2Ru+ and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+).

Molecular Properties

Compound Name3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+)
PubChem CID169317250
Molecular FormulaC10H19N2O2Ru+
Molecular Weight300.34 g/mol
Exact Mass301.05
IUPAC Name3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+)
SMILESC[C-](C)C.[C-]#[N+]CCCN.[CH-]=O.[CH-]=O.[Ru+4]
InChIInChI=1S/C4H8N2.C4H9.2CHO.Ru/c1-6-4-2-3-5;1-4(2)3;2*1-2;/h2-5H2;1-3H3;2*1H;/q;3*-1;+4
InChIKeyBYBCUYZHFPGMIU-UHFFFAOYSA-N
XLogP1.32
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-isocyanopropane
CID 84762006
N'-(2-isocyanoethyl)ethane-1,2-diamine
CID 22889458
5-isocyanopentanoic acid
CID 21280306
acetic acid;alumane;propane-1,3-diamine
CID 173265651
3-dimethylstannylpropan-1-amine
CID 174338610
azanide;copper;iron(6+);bis(propane-1,3-diamine);hexacyanide
CID 11963893
tris(butan-1-amine);methylsilane
CID 161377074
hexane-1,6-diamine;methanamine
CID 174275715
butane-1,4-diamine;propanoic acid;hydrofluoride
CID 174574728
copper;hexan-1-amine
CID 87269039
acetic acid;propane-1,3-diamine
CID 158444659
3-ethylsilylpropan-1-amine
CID 159309450

Frequently Asked Questions

What is the IUPAC name of 3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+)?
The IUPAC name of 3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+) (CID 169317250) is 3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+).
What is the SMILES notation for 3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+)?
The canonical SMILES for 3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+) is C[C-](C)C.[C-]#[N+]CCCN.[CH-]=O.[CH-]=O.[Ru+4].
What is the InChIKey of 3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+)?
The InChIKey is BYBCUYZHFPGMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.C4H9.2CHO.Ru/c1-6-4-2-3-5;1-4(2)3;2*1-2;/h2-5H2;1-3H3;2*1H;/q;3*-1;+4.
What are the key properties of 3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+)?
3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+) has a molecular weight of 300.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyanopropan-1-amine;methanone;2-methylpropane;ruthenium(4+) is sourced from PubChem (CID 169317250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).