N-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine

C16H19NO — CID 56924412

IUPACN-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine
SMILESCCC1(OC)C=CC(/N=C/c2ccccc2)=CC1
InChIInChI=1S/C16H19NO/c1-3-16(18-2)11-9-15(10-12-16)17-13-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3/b17-13+
InChIKeyHFSYKOPHVPRULB-GHRIWEEISA-N
MW241.33 g/mol
LogP3.74
Rot. Bonds4

About N-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine

N-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine (PubChem CID 56924412) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine
PubChem CID56924412
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine
SMILESCCC1(OC)C=CC(/N=C/c2ccccc2)=CC1
InChIInChI=1S/C16H19NO/c1-3-16(18-2)11-9-15(10-12-16)17-13-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3/b17-13+
InChIKeyHFSYKOPHVPRULB-GHRIWEEISA-N
XLogP3.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.74
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 N-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine?
The IUPAC name of N-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine (CID 56924412) is N-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine.
What is the SMILES notation for N-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine?
The canonical SMILES for N-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine is CCC1(OC)C=CC(/N=C/c2ccccc2)=CC1.
What is the InChIKey of N-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine?
The InChIKey is HFSYKOPHVPRULB-GHRIWEEISA-N. The full InChI is InChI=1S/C16H19NO/c1-3-16(18-2)11-9-15(10-12-16)17-13-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3/b17-13+.
What are the key properties of N-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine?
N-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine has a molecular weight of 241.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-4-methoxycyclohexa-1,5-dien-1-yl)-1-phenylmethanimine is sourced from PubChem (CID 56924412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).