N-methyl-N'-propan-2-ylethane-1,2-diimine

C6H12N2 — CID 118973140

IUPACN-methyl-N'-propan-2-ylethane-1,2-diimine
SMILESC/N=C/C=N/C(C)C
InChIInChI=1S/C6H12N2/c1-6(2)8-5-4-7-3/h4-6H,1-3H3/b7-4+,8-5+
InChIKeyOBXJPVXIVLEOET-NSLJXJERSA-N
MW112.18 g/mol
LogP1.17
Rot. Bonds2

About N-methyl-N'-propan-2-ylethane-1,2-diimine

N-methyl-N'-propan-2-ylethane-1,2-diimine (PubChem CID 118973140) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-methyl-N'-propan-2-ylethane-1,2-diimine.

Molecular Properties

Compound NameN-methyl-N'-propan-2-ylethane-1,2-diimine
PubChem CID118973140
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-methyl-N'-propan-2-ylethane-1,2-diimine
SMILESC/N=C/C=N/C(C)C
InChIInChI=1S/C6H12N2/c1-6(2)8-5-4-7-3/h4-6H,1-3H3/b7-4+,8-5+
InChIKeyOBXJPVXIVLEOET-NSLJXJERSA-N
XLogP1.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.17
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 N-methyl-N'-propan-2-ylethane-1,2-diimine?
The IUPAC name of N-methyl-N'-propan-2-ylethane-1,2-diimine (CID 118973140) is N-methyl-N'-propan-2-ylethane-1,2-diimine.
What is the SMILES notation for N-methyl-N'-propan-2-ylethane-1,2-diimine?
The canonical SMILES for N-methyl-N'-propan-2-ylethane-1,2-diimine is C/N=C/C=N/C(C)C.
What is the InChIKey of N-methyl-N'-propan-2-ylethane-1,2-diimine?
The InChIKey is OBXJPVXIVLEOET-NSLJXJERSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(2)8-5-4-7-3/h4-6H,1-3H3/b7-4+,8-5+.
What are the key properties of N-methyl-N'-propan-2-ylethane-1,2-diimine?
N-methyl-N'-propan-2-ylethane-1,2-diimine has a molecular weight of 112.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-propan-2-ylethane-1,2-diimine is sourced from PubChem (CID 118973140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).