N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+)

C14H19FeN — CID 159037624

IUPACN-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+)
SMILESCCCCNc1ccc[cH-]1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C9H14N.C5H5.Fe/c1-2-3-8-10-9-6-4-5-7-9;1-2-4-5-3-1;/h4-7,10H,2-3,8H2,1H3;1-5H;/q2*-1;+2
InChIKeyJVQPJDLBJCHPKD-UHFFFAOYSA-N
MW257.16 g/mol
LogP4.02
Rot. Bonds4

About N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+)

N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+) (PubChem CID 159037624) has the molecular formula C14H19FeN and a molecular weight of 257.16 g/mol. Its IUPAC name is N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+).

Molecular Properties

Compound NameN-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+)
PubChem CID159037624
Molecular FormulaC14H19FeN
Molecular Weight257.16 g/mol
Exact Mass257.09
IUPAC NameN-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+)
SMILESCCCCNc1ccc[cH-]1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C9H14N.C5H5.Fe/c1-2-3-8-10-9-6-4-5-7-9;1-2-4-5-3-1;/h4-7,10H,2-3,8H2,1H3;1-5H;/q2*-1;+2
InChIKeyJVQPJDLBJCHPKD-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 15818168
cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene
CID 158473034
1-N,4-N-dibutyl-2,3-dimethylbenzene-1,4-diamine
CID 19915579
butan-1-olate;carbanide;bis(cyclopenta-1,3-diene);titanium(4+)
CID 161490731
cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutane-1-thiol;iron(2+)
CID 158425744
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)
CID 157273131
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
N-butyl-3-butyliminoinden-1-amine
CID 3269589
N-butylpyridin-2-amine
CID 14322668
2-(hexadecylamino)phenol
CID 154256819
carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene
CID 158519657
2-(butylamino)-4-methylbenzaldehyde
CID 154316528

Frequently Asked Questions

What is the IUPAC name of N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+)?
The IUPAC name of N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+) (CID 159037624) is N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+).
What is the SMILES notation for N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+)?
The canonical SMILES for N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+) is CCCCNc1ccc[cH-]1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+)?
The InChIKey is JVQPJDLBJCHPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N.C5H5.Fe/c1-2-3-8-10-9-6-4-5-7-9;1-2-4-5-3-1;/h4-7,10H,2-3,8H2,1H3;1-5H;/q2*-1;+2.
What are the key properties of N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+)?
N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+) has a molecular weight of 257.16 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+) is sourced from PubChem (CID 159037624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).