6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+))

C28H35Fe2NO — CID 131740901

IUPAC6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+))
SMILESOCCCCCCN(Cc1ccc[cH-]1)Cc1ccc[cH-]1.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/C18H25NO.2C5H5.2Fe/c20-14-8-2-1-7-13-19(15-17-9-3-4-10-17)16-18-11-5-6-12-18;2*1-2-4-5-3-1;;/h3-6,9-12,20H,1-2,7-8,13-16H2;2*1-5H;;/q-2;2*-1;2*+2
InChIKeyDRDVSWLNCPMDMD-UHFFFAOYSA-N
MW513.28 g/mol
LogP6.49
Rot. Bonds10

About 6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+))

6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+)) (PubChem CID 131740901) has the molecular formula C28H35Fe2NO and a molecular weight of 513.28 g/mol. Its IUPAC name is 6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+)).

Molecular Properties

Compound Name6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+))
PubChem CID131740901
Molecular FormulaC28H35Fe2NO
Molecular Weight513.28 g/mol
Exact Mass513.14
IUPAC Name6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+))
SMILESOCCCCCCN(Cc1ccc[cH-]1)Cc1ccc[cH-]1.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/C18H25NO.2C5H5.2Fe/c20-14-8-2-1-7-13-19(15-17-9-3-4-10-17)16-18-11-5-6-12-18;2*1-2-4-5-3-1;;/h3-6,9-12,20H,1-2,7-8,13-16H2;2*1-5H;;/q-2;2*-1;2*+2
InChIKeyDRDVSWLNCPMDMD-UHFFFAOYSA-N
XLogP6.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.28
LogP ≤ 56.49
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'}

Analyze 6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron
CID 73169264
bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+))
CID 158839319
cyclopenta-1,3-diene;2-(cyclopenta-1,3-dien-1-ylmethyl)prop-2-enal;iron(2+)
CID 140706938
cyclopenta-1,3-diene;2-[cyclopenta-1,3-dien-1-ylmethyl-(2,5-dioxopyrrolidin-1-yl)amino]acetic acid;iron(2+);hydrochloride
CID 161301405
5-[2-aminoethyl(benzyl)amino]pentan-1-ol
CID 62229179
bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+)
CID 174299170
5-(N-aminoanilino)pentan-1-ol
CID 22487379
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)
CID 157273131
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
CID 62229041
2-(aziridin-1-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethanamine;cyclopenta-1,3-diene;iron(2+)
CID 625058
cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+)
CID 175689197

Frequently Asked Questions

What is the IUPAC name of 6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+))?
The IUPAC name of 6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+)) (CID 131740901) is 6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+)).
What is the SMILES notation for 6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+))?
The canonical SMILES for 6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+)) is OCCCCCCN(Cc1ccc[cH-]1)Cc1ccc[cH-]1.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of 6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+))?
The InChIKey is DRDVSWLNCPMDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO.2C5H5.2Fe/c20-14-8-2-1-7-13-19(15-17-9-3-4-10-17)16-18-11-5-6-12-18;2*1-2-4-5-3-1;;/h3-6,9-12,20H,1-2,7-8,13-16H2;2*1-5H;;/q-2;2*-1;2*+2.
What are the key properties of 6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+))?
6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+)) has a molecular weight of 513.28 g/mol, XLogP of 6.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+)) is sourced from PubChem (CID 131740901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).