cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron

C14H21FeN — CID 12564947

IUPACcyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron
SMILESC1=CCC=C1.C[C@H](C1=CC=CC1)N(C)C.[Fe]
InChIInChI=1S/C9H15N.C5H6.Fe/c1-8(10(2)3)9-6-4-5-7-9;1-2-4-5-3-1;/h4-6,8H,7H2,1-3H3;1-4H,5H2;/t8-;;/m1../s1
InChIKeyFPGWTEWNRFGHLI-YCBDHFTFSA-N
MW259.17 g/mol
LogP3.32
Rot. Bonds2

About cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron

cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron (PubChem CID 12564947) has the molecular formula C14H21FeN and a molecular weight of 259.17 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron
PubChem CID12564947
Molecular FormulaC14H21FeN
Molecular Weight259.17 g/mol
Exact Mass259.10
IUPAC Namecyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron
SMILESC1=CCC=C1.C[C@H](C1=CC=CC1)N(C)C.[Fe]
InChIInChI=1S/C9H15N.C5H6.Fe/c1-8(10(2)3)9-6-4-5-7-9;1-2-4-5-3-1;/h4-6,8H,7H2,1-3H3;1-4H,5H2;/t8-;;/m1../s1
InChIKeyFPGWTEWNRFGHLI-YCBDHFTFSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron with MolForge

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Related Compounds

Ferrocene, ((dimethylamino)methyl)-
CID 16211226
C14H19FeN
CID 16212256
(R)-(+)-N,N-Dimethyl-1-ferrocenylethylamine, 97%
CID 16212257
alpha-(N,N-Dimethylamino)ethylferrocene
CID 11010616
-(N,N-Dimethylamino)ethylferrocene
CID 102600828
N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine
CID 15514425
N,N-Dimethylaminomethylferrocene methiodide
CID 44719007
lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine
CID 134971008
(1S)-1-[(5Z)-5-(2-bromocyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
CID 138975997
1-cyclopenta-1,3-dien-1-yl-2,2,2-trifluoro-N,N-dimethylethanamine
CID 13899774
2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine
CID 10352268
N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine
CID 15514429

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron?
The IUPAC name of cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron (CID 12564947) is cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron.
What is the SMILES notation for cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron?
The canonical SMILES for cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron is C1=CCC=C1.C[C@H](C1=CC=CC1)N(C)C.[Fe].
What is the InChIKey of cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron?
The InChIKey is FPGWTEWNRFGHLI-YCBDHFTFSA-N. The full InChI is InChI=1S/C9H15N.C5H6.Fe/c1-8(10(2)3)9-6-4-5-7-9;1-2-4-5-3-1;/h4-6,8H,7H2,1-3H3;1-4H,5H2;/t8-;;/m1../s1.
What are the key properties of cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron?
cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron has a molecular weight of 259.17 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron is sourced from PubChem (CID 12564947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).