(Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine

C14H22N2 — CID 135177558

IUPAC(Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine
SMILESC/C=N\N1C=CC(C)(C)C=C/C1=C\CCC
InChIInChI=1S/C14H22N2/c1-5-7-8-13-9-10-14(3,4)11-12-16(13)15-6-2/h6,8-12H,5,7H2,1-4H3/b13-8+,15-6-
InChIKeyHVGFKCKQNRWSFD-SELCLEDASA-N
MW218.34 g/mol
LogP4.09
Rot. Bonds3

About (Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine

(Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine (PubChem CID 135177558) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine
PubChem CID135177558
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine
SMILESC/C=N\N1C=CC(C)(C)C=C/C1=C\CCC
InChIInChI=1S/C14H22N2/c1-5-7-8-13-9-10-14(3,4)11-12-16(13)15-6-2/h6,8-12H,5,7H2,1-4H3/b13-8+,15-6-
InChIKeyHVGFKCKQNRWSFD-SELCLEDASA-N
XLogP4.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.09
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)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine?
The IUPAC name of (Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine (CID 135177558) is (Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine.
What is the SMILES notation for (Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine?
The canonical SMILES for (Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine is C/C=N\N1C=CC(C)(C)C=C/C1=C\CCC.
What is the InChIKey of (Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine?
The InChIKey is HVGFKCKQNRWSFD-SELCLEDASA-N. The full InChI is InChI=1S/C14H22N2/c1-5-7-8-13-9-10-14(3,4)11-12-16(13)15-6-2/h6,8-12H,5,7H2,1-4H3/b13-8+,15-6-.
What are the key properties of (Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine?
(Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine has a molecular weight of 218.34 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(7E)-7-butylidene-4,4-dimethylazepin-1-yl]ethanimine is sourced from PubChem (CID 135177558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).