(2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine

C14H25NO — CID 130224416

IUPAC(2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine
SMILES[H]/N=C/C(C)=C\C=C(\OC(CC)CC)C(C)C
InChIInChI=1S/C14H25NO/c1-6-13(7-2)16-14(11(3)4)9-8-12(5)10-15/h8-11,13,15H,6-7H2,1-5H3/b12-8-,14-9+,15-10+
InChIKeyQKJNRUOKUGSBCG-RMYOYCOISA-N
MW223.36 g/mol
LogP4.33
Rot. Bonds7

About (2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine

(2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine (PubChem CID 130224416) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine
PubChem CID130224416
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine
SMILES[H]/N=C/C(C)=C\C=C(\OC(CC)CC)C(C)C
InChIInChI=1S/C14H25NO/c1-6-13(7-2)16-14(11(3)4)9-8-12(5)10-15/h8-11,13,15H,6-7H2,1-5H3/b12-8-,14-9+,15-10+
InChIKeyQKJNRUOKUGSBCG-RMYOYCOISA-N
XLogP4.33
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine (CID 130224416) is (2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine is [H]/N=C/C(C)=C\C=C(\OC(CC)CC)C(C)C.
What is the InChIKey of (2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine?
The InChIKey is QKJNRUOKUGSBCG-RMYOYCOISA-N. The full InChI is InChI=1S/C14H25NO/c1-6-13(7-2)16-14(11(3)4)9-8-12(5)10-15/h8-11,13,15H,6-7H2,1-5H3/b12-8-,14-9+,15-10+.
What are the key properties of (2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine?
(2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine has a molecular weight of 223.36 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,6-dimethyl-5-pentan-3-yloxyhepta-2,4-dien-1-imine is sourced from PubChem (CID 130224416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).