N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron

C18H26Cl2FeN2S — CID 20701991

IUPACN-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron
SMILESC(=N/C1CCCCC1)\c1ccc(/C=N/C2CCCCC2)s1.Cl[Fe]Cl
InChIInChI=1S/C18H26N2S.2ClH.Fe/c1-3-7-15(8-4-1)19-13-17-11-12-18(21-17)14-20-16-9-5-2-6-10-16;;;/h11-16H,1-10H2;2*1H;/q;;;+2/p-2/b19-13+,20-14+;;;
InChIKeyNEQMZJUHVABJFO-SKTPHEQHSA-L
MW429.24 g/mol
LogP6.63
Rot. Bonds4

About N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron

N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron (PubChem CID 20701991) has the molecular formula C18H26Cl2FeN2S and a molecular weight of 429.24 g/mol. Its IUPAC name is N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron.

Molecular Properties

Compound NameN-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron
PubChem CID20701991
Molecular FormulaC18H26Cl2FeN2S
Molecular Weight429.24 g/mol
Exact Mass428.05
IUPAC NameN-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron
SMILESC(=N/C1CCCCC1)\c1ccc(/C=N/C2CCCCC2)s1.Cl[Fe]Cl
InChIInChI=1S/C18H26N2S.2ClH.Fe/c1-3-7-15(8-4-1)19-13-17-11-12-18(21-17)14-20-16-9-5-2-6-10-16;;;/h11-16H,1-10H2;2*1H;/q;;;+2/p-2/b19-13+,20-14+;;;
InChIKeyNEQMZJUHVABJFO-SKTPHEQHSA-L
XLogP6.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.24
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-thiophen-2-ylmethanimine
CID 12467160
dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine
CID 20701996
N-tert-butyl-1-[5-(tert-butyliminomethyl)thiophen-2-yl]methanimine;dichloroiron
CID 20702002
N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine;dichloroiron
CID 22968279
(4R,9R,18R,23R)-29,30-dithia-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,10,12,14,16,24,26-octaene
CID 11037497
N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine
CID 15443759
N-cyclohexyl-1-[5-(N-cyclohexyl-C-methylcarbonimidoyl)thiophen-2-yl]ethanimine
CID 22968280
N-pentyl-1-[5-(pentyliminomethyl)thiophen-2-yl]methanimine
CID 101676056

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron?
The IUPAC name of N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron (CID 20701991) is N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron.
What is the SMILES notation for N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron?
The canonical SMILES for N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron is C(=N/C1CCCCC1)\c1ccc(/C=N/C2CCCCC2)s1.Cl[Fe]Cl.
What is the InChIKey of N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron?
The InChIKey is NEQMZJUHVABJFO-SKTPHEQHSA-L. The full InChI is InChI=1S/C18H26N2S.2ClH.Fe/c1-3-7-15(8-4-1)19-13-17-11-12-18(21-17)14-20-16-9-5-2-6-10-16;;;/h11-16H,1-10H2;2*1H;/q;;;+2/p-2/b19-13+,20-14+;;;.
What are the key properties of N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron?
N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron has a molecular weight of 429.24 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine;dichloroiron is sourced from PubChem (CID 20701991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).