azidomethane;butane;methanimine;prop-1-ene

C9H22N4 — CID 162290047

IUPACazidomethane;butane;methanimine;prop-1-ene
SMILESC=CC.CCCC.CN=[N+]=[N-].[H]N=C
InChIInChI=1S/C4H10.C3H6.CH3N3.CH3N/c1-3-4-2;1-3-2;1-3-4-2;1-2/h3-4H2,1-2H3;3H,1H2,2H3;1H3;2H,1H2
InChIKeyNKLPSERJOGEZOT-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.19
Rot. Bonds1

About azidomethane;butane;methanimine;prop-1-ene

azidomethane;butane;methanimine;prop-1-ene (PubChem CID 162290047) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is azidomethane;butane;methanimine;prop-1-ene.

Molecular Properties

Compound Nameazidomethane;butane;methanimine;prop-1-ene
PubChem CID162290047
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Nameazidomethane;butane;methanimine;prop-1-ene
SMILESC=CC.CCCC.CN=[N+]=[N-].[H]N=C
InChIInChI=1S/C4H10.C3H6.CH3N3.CH3N/c1-3-4-2;1-3-2;1-3-4-2;1-2/h3-4H2,1-2H3;3H,1H2,2H3;1H3;2H,1H2
InChIKeyNKLPSERJOGEZOT-UHFFFAOYSA-N
XLogP4.19
TPSA72.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

butane;ethane;propane;prop-1-ene
CID 143366707
butane;ethane;ethene;prop-1-ene
CID 144524801
CID 171377879
CID 171377879
butane;pentane;prop-1-ene
CID 144903825
azidomethane;benzene
CID 162077084
hexane;propane;prop-1-ene
CID 143913803
prop-1-ene
CID 162178440
ethylphosphane;prop-1-ene
CID 91599859
ethanamine;prop-1-ene
CID 142862814
butane;bis(but-1-ene)
CID 160596310
ethane;prop-1-ene;undecane
CID 171541850
N-azido-N-prop-2-enylpropan-1-amine
CID 90040470

Frequently Asked Questions

What is the IUPAC name of azidomethane;butane;methanimine;prop-1-ene?
The IUPAC name of azidomethane;butane;methanimine;prop-1-ene (CID 162290047) is azidomethane;butane;methanimine;prop-1-ene.
What is the SMILES notation for azidomethane;butane;methanimine;prop-1-ene?
The canonical SMILES for azidomethane;butane;methanimine;prop-1-ene is C=CC.CCCC.CN=[N+]=[N-].[H]N=C.
What is the InChIKey of azidomethane;butane;methanimine;prop-1-ene?
The InChIKey is NKLPSERJOGEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H6.CH3N3.CH3N/c1-3-4-2;1-3-2;1-3-4-2;1-2/h3-4H2,1-2H3;3H,1H2,2H3;1H3;2H,1H2.
What are the key properties of azidomethane;butane;methanimine;prop-1-ene?
azidomethane;butane;methanimine;prop-1-ene has a molecular weight of 186.30 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethane;butane;methanimine;prop-1-ene is sourced from PubChem (CID 162290047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).