1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane

C11H22N2 — CID 171558714

IUPAC1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane
SMILESC=C(C)/N=C(/C=N/C)C(C)C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-7(2)9(6-10-5)11-8(3)4;1-2/h6-7H,3H2,1-2,4-5H3;1-2H3/b10-6+,11-9-;
InChIKeyZRIOSDRRFNCOQY-FJKUVOKQSA-N
MW182.31 g/mol
LogP3.34
Rot. Bonds3

About 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane

1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane (PubChem CID 171558714) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane.

Molecular Properties

Compound Name1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane
PubChem CID171558714
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane
SMILESC=C(C)/N=C(/C=N/C)C(C)C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-7(2)9(6-10-5)11-8(3)4;1-2/h6-7H,3H2,1-2,4-5H3;1-2H3/b10-6+,11-9-;
InChIKeyZRIOSDRRFNCOQY-FJKUVOKQSA-N
XLogP3.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.34
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 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane?
The IUPAC name of 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane (CID 171558714) is 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane.
What is the SMILES notation for 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane?
The canonical SMILES for 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane is C=C(C)/N=C(/C=N/C)C(C)C.CC.
What is the InChIKey of 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane?
The InChIKey is ZRIOSDRRFNCOQY-FJKUVOKQSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-7(2)9(6-10-5)11-8(3)4;1-2/h6-7H,3H2,1-2,4-5H3;1-2H3/b10-6+,11-9-;.
What are the key properties of 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane?
1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane has a molecular weight of 182.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-2-N-prop-1-en-2-ylbutane-1,2-diimine;ethane is sourced from PubChem (CID 171558714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).