2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+)

C15H20FeN2 — CID 625058

IUPAC2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+)
SMILES[Fe+2].c1c[cH-]c(CNCCN2CC2)c1.c1cc[cH-]c1
InChIInChI=1S/C10H15N2.C5H5.Fe/c1-2-4-10(3-1)9-11-5-6-12-7-8-12;1-2-4-5-3-1;/h1-4,11H,5-9H2;1-5H;/q2*-1;+2
InChIKeyVJQQMCCFOUOHGM-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.21
Rot. Bonds5

About 2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+)

2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+) (PubChem CID 625058) has the molecular formula C15H20FeN2 and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+).

Molecular Properties

Compound Name2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+)
PubChem CID625058
Molecular FormulaC15H20FeN2
Molecular Weight284.18 g/mol
Exact Mass284.10
IUPAC Name2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+)
SMILES[Fe+2].c1c[cH-]c(CNCCN2CC2)c1.c1cc[cH-]c1
InChIInChI=1S/C10H15N2.C5H5.Fe/c1-2-4-10(3-1)9-11-5-6-12-7-8-12;1-2-4-5-3-1;/h1-4,11H,5-9H2;1-5H;/q2*-1;+2
InChIKeyVJQQMCCFOUOHGM-UHFFFAOYSA-N
XLogP2.21
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+)?
The IUPAC name of 2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+) (CID 625058) is 2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+).
What is the SMILES notation for 2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+)?
The canonical SMILES for 2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+) is [Fe+2].c1c[cH-]c(CNCCN2CC2)c1.c1cc[cH-]c1.
What is the InChIKey of 2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+)?
The InChIKey is VJQQMCCFOUOHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2.C5H5.Fe/c1-2-4-10(3-1)9-11-5-6-12-7-8-12;1-2-4-5-3-1;/h1-4,11H,5-9H2;1-5H;/q2*-1;+2.
What are the key properties of 2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+)?
2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+) has a molecular weight of 284.18 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+) is sourced from PubChem (CID 625058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).