(Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine

C14H26N2 — CID 123936136

IUPAC(Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C=C\C(C)=N\CCC(C)(C)CCC
InChIInChI=1S/C14H26N2/c1-6-9-14(4,5)10-11-16-13(3)8-7-12(2)15/h7-8,15H,6,9-11H2,1-5H3/b8-7-,15-12+,16-13+
InChIKeyMRPOTZKQXKALBM-WKNAMRQGSA-N
MW222.38 g/mol
LogP4.26
Rot. Bonds7

About (Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine

(Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine (PubChem CID 123936136) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine.

Molecular Properties

Compound Name(Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine
PubChem CID123936136
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C=C\C(C)=N\CCC(C)(C)CCC
InChIInChI=1S/C14H26N2/c1-6-9-14(4,5)10-11-16-13(3)8-7-12(2)15/h7-8,15H,6,9-11H2,1-5H3/b8-7-,15-12+,16-13+
InChIKeyMRPOTZKQXKALBM-WKNAMRQGSA-N
XLogP4.26
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6,6-dimethyl-2-N-(3-methylbutyl)cyclohept-3-ene-1,2-diimine
CID 90748347
(Z)-2,2,4,4-tetramethyl-5-[(Z)-prop-1-enyl]iminooct-6-en-1-amine
CID 142076092

Frequently Asked Questions

What is the IUPAC name of (Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine?
The IUPAC name of (Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine (CID 123936136) is (Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine.
What is the SMILES notation for (Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine?
The canonical SMILES for (Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine is [H]/N=C(C)/C=C\C(C)=N\CCC(C)(C)CCC.
What is the InChIKey of (Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine?
The InChIKey is MRPOTZKQXKALBM-WKNAMRQGSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-9-14(4,5)10-11-16-13(3)8-7-12(2)15/h7-8,15H,6,9-11H2,1-5H3/b8-7-,15-12+,16-13+.
What are the key properties of (Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine?
(Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine has a molecular weight of 222.38 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-N-(3,3-dimethylhexyl)hex-3-ene-2,5-diimine is sourced from PubChem (CID 123936136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).