azane;2-cyclohexylacetic acid;iron

C8H17FeNO2 — CID 67746719

IUPACazane;2-cyclohexylacetic acid;iron
SMILESN.O=C(O)CC1CCCCC1.[Fe]
InChIInChI=1S/C8H14O2.Fe.H3N/c9-8(10)6-7-4-2-1-3-5-7;;/h7H,1-6H2,(H,9,10);;1H3
InChIKeyMTCXXXJSKXLSDJ-UHFFFAOYSA-N
MW215.07 g/mol
LogP2.20
Rot. Bonds2

About azane;2-cyclohexylacetic acid;iron

azane;2-cyclohexylacetic acid;iron (PubChem CID 67746719) has the molecular formula C8H17FeNO2 and a molecular weight of 215.07 g/mol. Its IUPAC name is azane;2-cyclohexylacetic acid;iron.

Molecular Properties

Compound Nameazane;2-cyclohexylacetic acid;iron
PubChem CID67746719
Molecular FormulaC8H17FeNO2
Molecular Weight215.07 g/mol
Exact Mass215.06
IUPAC Nameazane;2-cyclohexylacetic acid;iron
SMILESN.O=C(O)CC1CCCCC1.[Fe]
InChIInChI=1S/C8H14O2.Fe.H3N/c9-8(10)6-7-4-2-1-3-5-7;;/h7H,1-6H2,(H,9,10);;1H3
InChIKeyMTCXXXJSKXLSDJ-UHFFFAOYSA-N
XLogP2.20
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.07
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium;2-cyclohexylacetic acid;hydride
CID 174261063
2-cyclohexylacetic acid;sulfuric acid
CID 174433718
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
2-(phosphepan-3-yl)acetic acid
CID 141089155
3-cyclohexyl-2-oxopropanoic acid
CID 160850076
2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 79608698
2-cyclohexylacetic acid;N-ethyl-2-methylpropan-1-amine
CID 142535514
2-spiro[5.5]undecan-3-ylacetic acid
CID 83909560
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid
CID 134457154
2-cyclodecylacetamide
CID 150110792
1-cyclohexadecylpropan-2-one
CID 175123721

Frequently Asked Questions

What is the IUPAC name of azane;2-cyclohexylacetic acid;iron?
The IUPAC name of azane;2-cyclohexylacetic acid;iron (CID 67746719) is azane;2-cyclohexylacetic acid;iron.
What is the SMILES notation for azane;2-cyclohexylacetic acid;iron?
The canonical SMILES for azane;2-cyclohexylacetic acid;iron is N.O=C(O)CC1CCCCC1.[Fe].
What is the InChIKey of azane;2-cyclohexylacetic acid;iron?
The InChIKey is MTCXXXJSKXLSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.Fe.H3N/c9-8(10)6-7-4-2-1-3-5-7;;/h7H,1-6H2,(H,9,10);;1H3.
What are the key properties of azane;2-cyclohexylacetic acid;iron?
azane;2-cyclohexylacetic acid;iron has a molecular weight of 215.07 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-cyclohexylacetic acid;iron is sourced from PubChem (CID 67746719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).