(Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine

C13H24N2 — CID 176553173

IUPAC(Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine
SMILESC=N/C(CC)=C(CCC)\C(C)=N\C(C)C
InChIInChI=1S/C13H24N2/c1-7-9-12(13(8-2)14-6)11(5)15-10(3)4/h10H,6-9H2,1-5H3/b13-12-,15-11+
InChIKeyKKEILVLECGWSIQ-YABTVZGTSA-N
MW208.35 g/mol
LogP4.02
Rot. Bonds6

About (Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine

(Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine (PubChem CID 176553173) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine.

Molecular Properties

Compound Name(Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine
PubChem CID176553173
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine
SMILESC=N/C(CC)=C(CCC)\C(C)=N\C(C)C
InChIInChI=1S/C13H24N2/c1-7-9-12(13(8-2)14-6)11(5)15-10(3)4/h10H,6-9H2,1-5H3/b13-12-,15-11+
InChIKeyKKEILVLECGWSIQ-YABTVZGTSA-N
XLogP4.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.02
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 (Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine?
The IUPAC name of (Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine (CID 176553173) is (Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine.
What is the SMILES notation for (Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine?
The canonical SMILES for (Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine is C=N/C(CC)=C(CCC)\C(C)=N\C(C)C.
What is the InChIKey of (Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine?
The InChIKey is KKEILVLECGWSIQ-YABTVZGTSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-9-12(13(8-2)14-6)11(5)15-10(3)4/h10H,6-9H2,1-5H3/b13-12-,15-11+.
What are the key properties of (Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine?
(Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine has a molecular weight of 208.35 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine is sourced from PubChem (CID 176553173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).