(Z)-2-N,6-dimethylhept-3-ene-2,5-diimine

C9H16N2 — CID 122450897

IUPAC(Z)-2-N,6-dimethylhept-3-ene-2,5-diimine
SMILES[H]/N=C(/C=C\C(C)=N\C)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(10)6-5-8(3)11-4/h5-7,10H,1-4H3/b6-5-,10-9-,11-8+
InChIKeyMCFSXYWFGHISEF-NFILRFLKSA-N
MW152.24 g/mol
LogP2.31
Rot. Bonds3

About (Z)-2-N,6-dimethylhept-3-ene-2,5-diimine

(Z)-2-N,6-dimethylhept-3-ene-2,5-diimine (PubChem CID 122450897) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-2-N,6-dimethylhept-3-ene-2,5-diimine.

Molecular Properties

Compound Name(Z)-2-N,6-dimethylhept-3-ene-2,5-diimine
PubChem CID122450897
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z)-2-N,6-dimethylhept-3-ene-2,5-diimine
SMILES[H]/N=C(/C=C\C(C)=N\C)C(C)C
InChIInChI=1S/C9H16N2/c1-7(2)9(10)6-5-8(3)11-4/h5-7,10H,1-4H3/b6-5-,10-9-,11-8+
InChIKeyMCFSXYWFGHISEF-NFILRFLKSA-N
XLogP2.31
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
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 (Z)-2-N,6-dimethylhept-3-ene-2,5-diimine?
The IUPAC name of (Z)-2-N,6-dimethylhept-3-ene-2,5-diimine (CID 122450897) is (Z)-2-N,6-dimethylhept-3-ene-2,5-diimine.
What is the SMILES notation for (Z)-2-N,6-dimethylhept-3-ene-2,5-diimine?
The canonical SMILES for (Z)-2-N,6-dimethylhept-3-ene-2,5-diimine is [H]/N=C(/C=C\C(C)=N\C)C(C)C.
What is the InChIKey of (Z)-2-N,6-dimethylhept-3-ene-2,5-diimine?
The InChIKey is MCFSXYWFGHISEF-NFILRFLKSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)9(10)6-5-8(3)11-4/h5-7,10H,1-4H3/b6-5-,10-9-,11-8+.
What are the key properties of (Z)-2-N,6-dimethylhept-3-ene-2,5-diimine?
(Z)-2-N,6-dimethylhept-3-ene-2,5-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N,6-dimethylhept-3-ene-2,5-diimine is sourced from PubChem (CID 122450897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).