1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron

C14H20FeN2-6 — CID 89496918

IUPAC1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron
SMILESCN(C)C[c-]1cccc1CN.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C9H15N2.C5H5.Fe/c1-11(2)7-9-5-3-4-8(9)6-10;1-2-4-5-3-1;/h3-5H,6-7,10H2,1-2H3;1-5H;/q-1;-5;
InChIKeyNEXGMQJQWOIEOU-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.33
Rot. Bonds3

About 1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron

1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron (PubChem CID 89496918) has the molecular formula C14H20FeN2-6 and a molecular weight of 272.17 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron
PubChem CID89496918
Molecular FormulaC14H20FeN2-6
Molecular Weight272.17 g/mol
Exact Mass272.10
IUPAC Name1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron
SMILESCN(C)C[c-]1cccc1CN.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C9H15N2.C5H5.Fe/c1-11(2)7-9-5-3-4-8(9)6-10;1-2-4-5-3-1;/h3-5H,6-7,10H2,1-2H3;1-5H;/q-1;-5;
InChIKeyNEXGMQJQWOIEOU-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron?
The IUPAC name of 1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron (CID 89496918) is 1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron.
What is the SMILES notation for 1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron?
The canonical SMILES for 1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron is CN(C)C[c-]1cccc1CN.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of 1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron?
The InChIKey is NEXGMQJQWOIEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2.C5H5.Fe/c1-11(2)7-9-5-3-4-8(9)6-10;1-2-4-5-3-1;/h3-5H,6-7,10H2,1-2H3;1-5H;/q-1;-5;.
What are the key properties of 1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron?
1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron has a molecular weight of 272.17 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclopenta-2,4-dien-1-yl]-N,N-dimethylmethanamine;cyclopentane;iron is sourced from PubChem (CID 89496918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).