ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine

C12H28N2 — CID 143379778

IUPACethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine
SMILESC=NC=C(C)CN=C.CC.CC.CC
InChIInChI=1S/C6H10N2.3C2H6/c1-6(4-7-2)5-8-3;3*1-2/h4H,2-3,5H2,1H3;3*1-2H3
InChIKeyXYPMHYWPWDFFDV-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.37
Rot. Bonds3

About ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine

ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine (PubChem CID 143379778) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine.

Molecular Properties

Compound Nameethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine
PubChem CID143379778
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Nameethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine
SMILESC=NC=C(C)CN=C.CC.CC.CC
InChIInChI=1S/C6H10N2.3C2H6/c1-6(4-7-2)5-8-3;3*1-2/h4H,2-3,5H2,1H3;3*1-2H3
InChIKeyXYPMHYWPWDFFDV-UHFFFAOYSA-N
XLogP4.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine?
The IUPAC name of ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine (CID 143379778) is ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine.
What is the SMILES notation for ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine?
The canonical SMILES for ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine is C=NC=C(C)CN=C.CC.CC.CC.
What is the InChIKey of ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine?
The InChIKey is XYPMHYWPWDFFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.3C2H6/c1-6(4-7-2)5-8-3;3*1-2/h4H,2-3,5H2,1H3;3*1-2H3.
What are the key properties of ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine?
ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine has a molecular weight of 200.37 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-methyl-3-(methylideneamino)prop-2-enyl]methanimine is sourced from PubChem (CID 143379778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).