cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron

C19H29FeN — CID 171034940

IUPACcyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron
SMILESC/C(=N\c1ccc(C)cc1)C1CCCC1.C1CCCC1.[Fe]
InChIInChI=1S/C14H19N.C5H10.Fe/c1-11-7-9-14(10-8-11)15-12(2)13-5-3-4-6-13;1-2-4-5-3-1;/h7-10,13H,3-6H2,1-2H3;1-5H2;/b15-12+;;
InChIKeyGAJLOLRPJAONOI-BXHFOUFMSA-N
MW327.29 g/mol
LogP6.23
Rot. Bonds2

About cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron

cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron (PubChem CID 171034940) has the molecular formula C19H29FeN and a molecular weight of 327.29 g/mol. Its IUPAC name is cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron.

Molecular Properties

Compound Namecyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron
PubChem CID171034940
Molecular FormulaC19H29FeN
Molecular Weight327.29 g/mol
Exact Mass327.16
IUPAC Namecyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron
SMILESC/C(=N\c1ccc(C)cc1)C1CCCC1.C1CCCC1.[Fe]
InChIInChI=1S/C14H19N.C5H10.Fe/c1-11-7-9-14(10-8-11)15-12(2)13-5-3-4-6-13;1-2-4-5-3-1;/h7-10,13H,3-6H2,1-2H3;1-5H2;/b15-12+;;
InChIKeyGAJLOLRPJAONOI-BXHFOUFMSA-N
XLogP6.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.29
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
(E)-3-amino-N'-(4-methylphenyl)-3-piperidin-1-ylprop-2-enimidamide
CID 89109789
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500
azane;2-(4-methylphenyl)guanidine
CID 172751004
N'-(4-bromophenyl)cyclopentanecarboximidamide
CID 63178230
N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide
CID 142053429
N'-(4-methylphenyl)-N-phenylpiperidine-1-carboximidamide
CID 138974908
N-(cyclohexylmethyl)-1-(4-methylphenyl)methanimine
CID 102444433

Frequently Asked Questions

What is the IUPAC name of cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron?
The IUPAC name of cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron (CID 171034940) is cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron.
What is the SMILES notation for cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron?
The canonical SMILES for cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron is C/C(=N\c1ccc(C)cc1)C1CCCC1.C1CCCC1.[Fe].
What is the InChIKey of cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron?
The InChIKey is GAJLOLRPJAONOI-BXHFOUFMSA-N. The full InChI is InChI=1S/C14H19N.C5H10.Fe/c1-11-7-9-14(10-8-11)15-12(2)13-5-3-4-6-13;1-2-4-5-3-1;/h7-10,13H,3-6H2,1-2H3;1-5H2;/b15-12+;;.
What are the key properties of cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron?
cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron has a molecular weight of 327.29 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;1-cyclopentyl-N-(4-methylphenyl)ethanimine;iron is sourced from PubChem (CID 171034940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).