2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine

C9H16N2O — CID 170730716

IUPAC2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine
SMILESC=C/N=C(/C=N/C)COC(C)C
InChIInChI=1S/C9H16N2O/c1-5-11-9(6-10-4)7-12-8(2)3/h5-6,8H,1,7H2,2-4H3/b10-6+,11-9-
InChIKeyBPUCKEGYUHDYTE-QCOLZXCRSA-N
MW168.24 g/mol
LogP1.70
Rot. Bonds5

About 2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine

2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine (PubChem CID 170730716) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine.

Molecular Properties

Compound Name2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine
PubChem CID170730716
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine
SMILESC=C/N=C(/C=N/C)COC(C)C
InChIInChI=1S/C9H16N2O/c1-5-11-9(6-10-4)7-12-8(2)3/h5-6,8H,1,7H2,2-4H3/b10-6+,11-9-
InChIKeyBPUCKEGYUHDYTE-QCOLZXCRSA-N
XLogP1.70
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine?
The IUPAC name of 2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine (CID 170730716) is 2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine.
What is the SMILES notation for 2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine?
The canonical SMILES for 2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine is C=C/N=C(/C=N/C)COC(C)C.
What is the InChIKey of 2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine?
The InChIKey is BPUCKEGYUHDYTE-QCOLZXCRSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-11-9(6-10-4)7-12-8(2)3/h5-6,8H,1,7H2,2-4H3/b10-6+,11-9-.
What are the key properties of 2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine?
2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine has a molecular weight of 168.24 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine is sourced from PubChem (CID 170730716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).