ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine

C22H31NO — CID 145051761

IUPACethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine
SMILESCC.COC.[H]/N=C(C)/C(C)=C\Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H19N.C2H6O.C2H6/c1-14(15(2)19)11-12-16-7-6-10-18(13-16)17-8-4-3-5-9-17;1-3-2;1-2/h3-11,13,19H,12H2,1-2H3;1-2H3;1-2H3/b14-11-,19-15+;;
InChIKeyRAKIAKDYDFRJDG-QGDCVYFOSA-N
MW325.50 g/mol
LogP6.17
Rot. Bonds4

About ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine

ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine (PubChem CID 145051761) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine.

Molecular Properties

Compound Nameethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine
PubChem CID145051761
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Nameethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine
SMILESCC.COC.[H]/N=C(C)/C(C)=C\Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H19N.C2H6O.C2H6/c1-14(15(2)19)11-12-16-7-6-10-18(13-16)17-8-4-3-5-9-17;1-3-2;1-2/h3-11,13,19H,12H2,1-2H3;1-2H3;1-2H3/b14-11-,19-15+;;
InChIKeyRAKIAKDYDFRJDG-QGDCVYFOSA-N
XLogP6.17
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 56.17
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 ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine?
The IUPAC name of ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine (CID 145051761) is ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine.
What is the SMILES notation for ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine?
The canonical SMILES for ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine is CC.COC.[H]/N=C(C)/C(C)=C\Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine?
The InChIKey is RAKIAKDYDFRJDG-QGDCVYFOSA-N. The full InChI is InChI=1S/C18H19N.C2H6O.C2H6/c1-14(15(2)19)11-12-16-7-6-10-18(13-16)17-8-4-3-5-9-17;1-3-2;1-2/h3-11,13,19H,12H2,1-2H3;1-2H3;1-2H3/b14-11-,19-15+;;.
What are the key properties of ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine?
ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine has a molecular weight of 325.50 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine is sourced from PubChem (CID 145051761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).