1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane

C14H19FeN-6 — CID 175522036

IUPAC1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane
SMILESCN(C)C[c-]1cccc1.C[c-]1[cH-][cH-][cH-][cH-]1.[Fe]
InChIInChI=1S/C8H12N.C6H7.Fe/c1-9(2)7-8-5-3-4-6-8;1-6-4-2-3-5-6;/h3-6H,7H2,1-2H3;2-5H,1H3;/q-1;-5;
InChIKeyVQVMIDJKPPCVDL-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.18
Rot. Bonds2

About 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane

1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane (PubChem CID 175522036) has the molecular formula C14H19FeN-6 and a molecular weight of 257.16 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane
PubChem CID175522036
Molecular FormulaC14H19FeN-6
Molecular Weight257.16 g/mol
Exact Mass257.09
IUPAC Name1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane
SMILESCN(C)C[c-]1cccc1.C[c-]1[cH-][cH-][cH-][cH-]1.[Fe]
InChIInChI=1S/C8H12N.C6H7.Fe/c1-9(2)7-8-5-3-4-6-8;1-6-4-2-3-5-6;/h3-6H,7H2,1-2H3;2-5H,1H3;/q-1;-5;
InChIKeyVQVMIDJKPPCVDL-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane (CID 175522036) is 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane is CN(C)C[c-]1cccc1.C[c-]1[cH-][cH-][cH-][cH-]1.[Fe].
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane?
The InChIKey is VQVMIDJKPPCVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.C6H7.Fe/c1-9(2)7-8-5-3-4-6-8;1-6-4-2-3-5-6;/h3-6H,7H2,1-2H3;2-5H,1H3;/q-1;-5;.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane?
1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane has a molecular weight of 257.16 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane is sourced from PubChem (CID 175522036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).