potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine

C9H14KN — CID 15393928

IUPACpotassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine
SMILESCN(C)CC[c-]1cccc1.[K+]
InChIInChI=1S/C9H14N.K/c1-10(2)8-7-9-5-3-4-6-9;/h3-6H,7-8H2,1-2H3;/q-1;+1
InChIKeyVXJPYHVZPHJQOF-UHFFFAOYSA-N
MW175.32 g/mol
LogP-1.49
Rot. Bonds3

About potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine

potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine (PubChem CID 15393928) has the molecular formula C9H14KN and a molecular weight of 175.32 g/mol. Its IUPAC name is potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine.

Molecular Properties

Compound Namepotassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine
PubChem CID15393928
Molecular FormulaC9H14KN
Molecular Weight175.32 g/mol
Exact Mass175.08
IUPAC Namepotassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine
SMILESCN(C)CC[c-]1cccc1.[K+]
InChIInChI=1S/C9H14N.K/c1-10(2)8-7-9-5-3-4-6-9;/h3-6H,7-8H2,1-2H3;/q-1;+1
InChIKeyVXJPYHVZPHJQOF-UHFFFAOYSA-N
XLogP-1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine;zirconium(4+);dichloride
CID 159810110
cobalt;2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine;3-di(propan-2-yl)phosphaniumylpropyl-di(propan-2-yl)phosphanium
CID 11987342
1,1'-biphenyl;3-cyclopenta-2,4-dien-1-yl-N,N-dimethylpropan-1-amine;manganese
CID 11986694
bis(5-propylcyclopenta-1,3-diene);titanium(2+)
CID 154426293
5-propylcyclopenta-1,3-diene;zirconium(3+);dichloride
CID 175833088
bis(2-cyclopenta-2,4-dien-1-ylethyl(trimethyl)silane);hafnium
CID 154404293
potassium 2-cyclopenta-2,4-dien-1-ylethanamine
CID 130018757
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+)
CID 15807877
1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride
CID 160735156
1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane
CID 175522036
bis(cyclopenta-2,4-dien-1-ylmethyl(trimethyl)silane);hafnium(4+)
CID 175757243
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;5-propylcyclopenta-1,3-diene;zirconium(2+)
CID 154429991

Frequently Asked Questions

What is the IUPAC name of potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine?
The IUPAC name of potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine (CID 15393928) is potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine.
What is the SMILES notation for potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine?
The canonical SMILES for potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine is CN(C)CC[c-]1cccc1.[K+].
What is the InChIKey of potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine?
The InChIKey is VXJPYHVZPHJQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N.K/c1-10(2)8-7-9-5-3-4-6-9;/h3-6H,7-8H2,1-2H3;/q-1;+1.
What are the key properties of potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine?
potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine has a molecular weight of 175.32 g/mol, XLogP of -1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine is sourced from PubChem (CID 15393928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).