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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Related Compounds

CID 58543330
CID 58543330
CID 67968391
CID 67968391
CID 88267020
CID 88267020
CID 89186964
CID 89186964
CID 90861129
CID 90861129
CID 90980602
CID 90980602
CID 91138427
CID 91138427
CID 91349973
CID 91349973
CID 91413102
CID 91413102
CID 91531603
CID 91531603
CID 117650577
CID 117650577
CID 118047640
CID 118047640

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).