CID 135000854

C15H29FeLiN2 — CID 135000854

IUPAC—
SMILESC=C.C=C.CN(C)CCN(C)C.[CH]1C=CC=C1.[Fe].[Li]
InChIInChI=1S/C6H16N2.C5H5.2C2H4.Fe.Li/c1-7(2)5-6-8(3)4;1-2-4-5-3-1;2*1-2;;/h5-6H2,1-4H3;1-5H;2*1-2H2;;
InChIKeyFKTIGVRBXSSBQU-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.65
Rot. Bonds3

About CID 135000854

CID 135000854 (PubChem CID 135000854) has the molecular formula C15H29FeLiN2 and a molecular weight of 300.20 g/mol.

Molecular Properties

Compound NameCID 135000854
PubChem CID135000854
Molecular FormulaC15H29FeLiN2
Molecular Weight300.20 g/mol
Exact Mass300.18
IUPAC Name—
SMILESC=C.C=C.CN(C)CCN(C)C.[CH]1C=CC=C1.[Fe].[Li]
InChIInChI=1S/C6H16N2.C5H5.2C2H4.Fe.Li/c1-7(2)5-6-8(3)4;1-2-4-5-3-1;2*1-2;;/h5-6H2,1-4H3;1-5H;2*1-2H2;;
InChIKeyFKTIGVRBXSSBQU-UHFFFAOYSA-N
XLogP2.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135000854?
The IUPAC name of CID 135000854 (CID 135000854) is not available.
What is the SMILES notation for CID 135000854?
The canonical SMILES for CID 135000854 is C=C.C=C.CN(C)CCN(C)C.[CH]1C=CC=C1.[Fe].[Li].
What is the InChIKey of CID 135000854?
The InChIKey is FKTIGVRBXSSBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C5H5.2C2H4.Fe.Li/c1-7(2)5-6-8(3)4;1-2-4-5-3-1;2*1-2;;/h5-6H2,1-4H3;1-5H;2*1-2H2;;.
What are the key properties of CID 135000854?
CID 135000854 has a molecular weight of 300.20 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135000854 is sourced from PubChem (CID 135000854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).