(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine

C10H18N2 — CID 88583469

IUPAC(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
SMILES[H]/N=C/C=C(C(=N\[H])\C(C)C)/C(C)C
InChIInChI=1S/C10H18N2/c1-7(2)9(5-6-11)10(12)8(3)4/h5-8,11-12H,1-4H3/b9-5-,11-6+,12-10+
InChIKeyBCKYKZYCEGUDIM-BFWKRLKQSA-N
MW166.27 g/mol
LogP2.89
Rot. Bonds4

About (Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine

(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine (PubChem CID 88583469) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
PubChem CID88583469
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
SMILES[H]/N=C/C=C(C(=N\[H])\C(C)C)/C(C)C
InChIInChI=1S/C10H18N2/c1-7(2)9(5-6-11)10(12)8(3)4/h5-8,11-12H,1-4H3/b9-5-,11-6+,12-10+
InChIKeyBCKYKZYCEGUDIM-BFWKRLKQSA-N
XLogP2.89
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.89
H-Bond Donors ≤ 52
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)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine?
The IUPAC name of (Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine (CID 88583469) is (Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine?
The canonical SMILES for (Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine is [H]/N=C/C=C(C(=N\[H])\C(C)C)/C(C)C.
What is the InChIKey of (Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine?
The InChIKey is BCKYKZYCEGUDIM-BFWKRLKQSA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)9(5-6-11)10(12)8(3)4/h5-8,11-12H,1-4H3/b9-5-,11-6+,12-10+.
What are the key properties of (Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine?
(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine has a molecular weight of 166.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine is sourced from PubChem (CID 88583469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).