N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine

C14H25N — CID 144765342

IUPACN-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine
SMILESC=C/C=C(\N=C\C)C(CC)CC(C)(C)C
InChIInChI=1S/C14H25N/c1-7-10-13(15-9-3)12(8-2)11-14(4,5)6/h7,9-10,12H,1,8,11H2,2-6H3/b13-10-,15-9+
InChIKeyYFBIYMNRUFYGAW-PDGVQJANSA-N
MW207.36 g/mol
LogP4.61
Rot. Bonds5

About N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine

N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine (PubChem CID 144765342) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine.

Molecular Properties

Compound NameN-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine
PubChem CID144765342
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine
SMILESC=C/C=C(\N=C\C)C(CC)CC(C)(C)C
InChIInChI=1S/C14H25N/c1-7-10-13(15-9-3)12(8-2)11-14(4,5)6/h7,9-10,12H,1,8,11H2,2-6H3/b13-10-,15-9+
InChIKeyYFBIYMNRUFYGAW-PDGVQJANSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine?
The IUPAC name of N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine (CID 144765342) is N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine.
What is the SMILES notation for N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine?
The canonical SMILES for N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine is C=C/C=C(\N=C\C)C(CC)CC(C)(C)C.
What is the InChIKey of N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine?
The InChIKey is YFBIYMNRUFYGAW-PDGVQJANSA-N. The full InChI is InChI=1S/C14H25N/c1-7-10-13(15-9-3)12(8-2)11-14(4,5)6/h7,9-10,12H,1,8,11H2,2-6H3/b13-10-,15-9+.
What are the key properties of N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine?
N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine has a molecular weight of 207.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-ethyl-7,7-dimethylocta-1,3-dien-4-yl]ethanimine is sourced from PubChem (CID 144765342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).