2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron

C23H36FeNO- — CID 170566479

IUPAC2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron
SMILESCCCCCCCCCCCC(N)C(O)=C1C=CC=C1.[Fe].c1cc[cH-]c1
InChIInChI=1S/C18H31NO.C5H5.Fe/c1-2-3-4-5-6-7-8-9-10-15-17(19)18(20)16-13-11-12-14-16;1-2-4-5-3-1;/h11-14,17,20H,2-10,15,19H2,1H3;1-5H;/q;-1;
InChIKeyMUSJANIONZVMAP-UHFFFAOYSA-N
MW398.39 g/mol
LogP6.58
Rot. Bonds11

About 2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron

2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron (PubChem CID 170566479) has the molecular formula C23H36FeNO- and a molecular weight of 398.39 g/mol. Its IUPAC name is 2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron.

Molecular Properties

Compound Name2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron
PubChem CID170566479
Molecular FormulaC23H36FeNO-
Molecular Weight398.39 g/mol
Exact Mass398.22
IUPAC Name2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron
SMILESCCCCCCCCCCCC(N)C(O)=C1C=CC=C1.[Fe].c1cc[cH-]c1
InChIInChI=1S/C18H31NO.C5H5.Fe/c1-2-3-4-5-6-7-8-9-10-15-17(19)18(20)16-13-11-12-14-16;1-2-4-5-3-1;/h11-14,17,20H,2-10,15,19H2,1H3;1-5H;/q;-1;
InChIKeyMUSJANIONZVMAP-UHFFFAOYSA-N
XLogP6.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.39
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron with MolForge

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Launch Full Analysis

Related Compounds

1-phenyldecan-1-amine
CID 43175860
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
chloromethane;1-phenyltridecan-1-amine
CID 175245788
1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol
CID 159691739
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
(1S)-1-(3,5-dichlorophenyl)hexan-1-amine
CID 171222079
1-phenylhexan-1-amine;hydrochloride
CID 3033249
cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron
CID 173056174
1-cyclopenta-2,4-dien-1-ylidenedecan-1-ol
CID 158894608
2-aminohexadecanoic acid;azane
CID 175267671

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron?
The IUPAC name of 2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron (CID 170566479) is 2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron.
What is the SMILES notation for 2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron?
The canonical SMILES for 2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron is CCCCCCCCCCCC(N)C(O)=C1C=CC=C1.[Fe].c1cc[cH-]c1.
What is the InChIKey of 2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron?
The InChIKey is MUSJANIONZVMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO.C5H5.Fe/c1-2-3-4-5-6-7-8-9-10-15-17(19)18(20)16-13-11-12-14-16;1-2-4-5-3-1;/h11-14,17,20H,2-10,15,19H2,1H3;1-5H;/q;-1;.
What are the key properties of 2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron?
2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron has a molecular weight of 398.39 g/mol, XLogP of 6.58, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron is sourced from PubChem (CID 170566479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).