cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron

C18H19FeN-6 — CID 87353614

IUPACcyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron
SMILESCN(C)[c-]1cccc1-c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C13H14N.C5H5.Fe/c1-14(2)13-10-6-9-12(13)11-7-4-3-5-8-11;1-2-4-5-3-1;/h3-10H,1-2H3;1-5H;/q-1;-5;
InChIKeyKTGAPQQFMXWSFO-UHFFFAOYSA-N
MW305.20 g/mol
LogP4.54
Rot. Bonds2

About cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron

cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron (PubChem CID 87353614) has the molecular formula C18H19FeN-6 and a molecular weight of 305.20 g/mol. Its IUPAC name is cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron.

Molecular Properties

Compound Namecyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron
PubChem CID87353614
Molecular FormulaC18H19FeN-6
Molecular Weight305.20 g/mol
Exact Mass305.09
IUPAC Namecyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron
SMILESCN(C)[c-]1cccc1-c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C13H14N.C5H5.Fe/c1-14(2)13-10-6-9-12(13)11-7-4-3-5-8-11;1-2-4-5-3-1;/h3-10H,1-2H3;1-5H;/q-1;-5;
InChIKeyKTGAPQQFMXWSFO-UHFFFAOYSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 54.54
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 cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron?
The IUPAC name of cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron (CID 87353614) is cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron.
What is the SMILES notation for cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron?
The canonical SMILES for cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron is CN(C)[c-]1cccc1-c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron?
The InChIKey is KTGAPQQFMXWSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N.C5H5.Fe/c1-14(2)13-10-6-9-12(13)11-7-4-3-5-8-11;1-2-4-5-3-1;/h3-10H,1-2H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron?
cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron has a molecular weight of 305.20 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron is sourced from PubChem (CID 87353614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).