N-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine

C18H22N2O — CID 23964265

IUPACN-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine
SMILESCOc1ccc(-n2cccc2/C=N/C2CCCCC2)cc1
InChIInChI=1S/C18H22N2O/c1-21-18-11-9-16(10-12-18)20-13-5-8-17(20)14-19-15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3/b19-14+
InChIKeyDESOVNZEXHSAPB-XMHGGMMESA-N
MW282.39 g/mol
LogP4.24
Rot. Bonds4

About N-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine

N-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine (PubChem CID 23964265) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine
PubChem CID23964265
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine
SMILESCOc1ccc(-n2cccc2/C=N/C2CCCCC2)cc1
InChIInChI=1S/C18H22N2O/c1-21-18-11-9-16(10-12-18)20-13-5-8-17(20)14-19-15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3/b19-14+
InChIKeyDESOVNZEXHSAPB-XMHGGMMESA-N
XLogP4.24
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine?
The IUPAC name of N-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine (CID 23964265) is N-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine.
What is the SMILES notation for N-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine?
The canonical SMILES for N-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine is COc1ccc(-n2cccc2/C=N/C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine?
The InChIKey is DESOVNZEXHSAPB-XMHGGMMESA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18-11-9-16(10-12-18)20-13-5-8-17(20)14-19-15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3/b19-14+.
What are the key properties of N-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine?
N-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine has a molecular weight of 282.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine is sourced from PubChem (CID 23964265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).