N-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine

C17H40N4 — CID 158059172

IUPACN-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine
SMILESC.C.C.C=CN=C.C=NC.C=NC=CC(C)C.C=NCC
InChIInChI=1S/C6H11N.C3H7N.C3H5N.C2H5N.3CH4/c1-6(2)4-5-7-3;2*1-3-4-2;1-3-2;;;/h4-6H,3H2,1-2H3;2-3H2,1H3;3H,1-2H2;1H2,2H3;3*1H4
InChIKeyFKKXFZIOOWSGOU-UHFFFAOYSA-N
MW300.53 g/mol
LogP5.62
Rot. Bonds4

About N-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine

N-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine (PubChem CID 158059172) has the molecular formula C17H40N4 and a molecular weight of 300.53 g/mol. Its IUPAC name is N-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine.

Molecular Properties

Compound NameN-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine
PubChem CID158059172
Molecular FormulaC17H40N4
Molecular Weight300.53 g/mol
Exact Mass300.33
IUPAC NameN-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine
SMILESC.C.C.C=CN=C.C=NC.C=NC=CC(C)C.C=NCC
InChIInChI=1S/C6H11N.C3H7N.C3H5N.C2H5N.3CH4/c1-6(2)4-5-7-3;2*1-3-4-2;1-3-2;;;/h4-6H,3H2,1-2H3;2-3H2,1H3;3H,1-2H2;1H2,2H3;3*1H4
InChIKeyFKKXFZIOOWSGOU-UHFFFAOYSA-N
XLogP5.62
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-ethylmethanimine
CID 535674
ethane;N-[(1Z,3Z)-5-methylhexa-1,3-dienyl]methanimine
CID 143010225
but-1-enyl-bis[2-(methylideneamino)ethenyl]-prop-1-enylphosphanium
CID 59967254
(E)-4-methylpent-2-en-1-ol
CID 5362786
(E)-2,6-dimethylhept-3-ene;methane
CID 158228697
ethane;propane;N-[(Z)-prop-1-enyl]methanimine
CID 178138060
(Z)-2-methyloct-3-ene;octane
CID 159051061
(3E,7E)-9-methyldeca-1,3,7-triene
CID 101414428
(E)-4-methylpent-2-ene;propane
CID 142019888
N-methyl-1-[(Z)-2-(methylideneamino)ethenyl]sulfanylmethanamine
CID 142390140
N-hexa-1,3-dienylmethanimine
CID 123963868
2-methyldodeca-3,6,9-triene
CID 141042273

Frequently Asked Questions

What is the IUPAC name of N-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine?
The IUPAC name of N-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine (CID 158059172) is N-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine.
What is the SMILES notation for N-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine?
The canonical SMILES for N-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine is C.C.C.C=CN=C.C=NC.C=NC=CC(C)C.C=NCC.
What is the InChIKey of N-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine?
The InChIKey is FKKXFZIOOWSGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C3H7N.C3H5N.C2H5N.3CH4/c1-6(2)4-5-7-3;2*1-3-4-2;1-3-2;;;/h4-6H,3H2,1-2H3;2-3H2,1H3;3H,1-2H2;1H2,2H3;3*1H4.
What are the key properties of N-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine?
N-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine has a molecular weight of 300.53 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylmethanimine;N-ethylmethanimine;methane;N-(3-methylbut-1-enyl)methanimine;N-methylmethanimine is sourced from PubChem (CID 158059172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).