N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine

C12H18N2 — CID 129126581

IUPACN-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine
SMILESC/C=N/C1=C/C=C\C(C)(C)/C=C\NC1
InChIInChI=1S/C12H18N2/c1-4-14-11-6-5-7-12(2,3)8-9-13-10-11/h4-9,13H,10H2,1-3H3/b7-5-,9-8-,11-6+,14-4+
InChIKeyBUIWUBTWSMFXIN-FMTSWDFUSA-N
MW190.29 g/mol
LogP2.66
Rot. Bonds1

About N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine

N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine (PubChem CID 129126581) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine
PubChem CID129126581
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine
SMILESC/C=N/C1=C/C=C\C(C)(C)/C=C\NC1
InChIInChI=1S/C12H18N2/c1-4-14-11-6-5-7-12(2,3)8-9-13-10-11/h4-9,13H,10H2,1-3H3/b7-5-,9-8-,11-6+,14-4+
InChIKeyBUIWUBTWSMFXIN-FMTSWDFUSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
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 N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine?
The IUPAC name of N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine (CID 129126581) is N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine.
What is the SMILES notation for N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine?
The canonical SMILES for N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine is C/C=N/C1=C/C=C\C(C)(C)/C=C\NC1.
What is the InChIKey of N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine?
The InChIKey is BUIWUBTWSMFXIN-FMTSWDFUSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-14-11-6-5-7-12(2,3)8-9-13-10-11/h4-9,13H,10H2,1-3H3/b7-5-,9-8-,11-6+,14-4+.
What are the key properties of N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine?
N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine has a molecular weight of 190.29 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z,8Z)-7,7-dimethyl-1,2-dihydroazonin-3-yl]ethanimine is sourced from PubChem (CID 129126581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).