[(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium

C10H18N+ — CID 137225477

IUPAC[(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium
SMILESC[C@H](C1=CCC=C1)[N+](C)(C)C
InChIInChI=1S/C10H18N/c1-9(11(2,3)4)10-7-5-6-8-10/h5,7-9H,6H2,1-4H3/q+1/t9-/m1/s1
InChIKeyARLSHFFSQJCIAD-SECBINFHSA-N
MW152.26 g/mol
LogP1.97
Rot. Bonds2

About [(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium

[(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium (PubChem CID 137225477) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is [(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium.

Molecular Properties

Compound Name[(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium
PubChem CID137225477
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name[(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium
SMILESC[C@H](C1=CCC=C1)[N+](C)(C)C
InChIInChI=1S/C10H18N/c1-9(11(2,3)4)10-7-5-6-8-10/h5,7-9H,6H2,1-4H3/q+1/t9-/m1/s1
InChIKeyARLSHFFSQJCIAD-SECBINFHSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene
CID 22555230
(1R)-1-cyclopenta-1,4-dien-1-ylpropan-1-ol
CID 12024246
(1R)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12024248
2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene
CID 12997991
2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran
CID 158494381
1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene
CID 22555570
1-cyclopenta-1,4-dien-1-ylethanol;[diphenyl(trityloxy)methyl]benzene
CID 19994099
N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine
CID 19033357
1-cyclopenta-1,4-dien-1-ylpropyl(diphenyl)phosphane
CID 135850349
(1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 145106210
1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 142152612

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium?
The IUPAC name of [(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium (CID 137225477) is [(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium.
What is the SMILES notation for [(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium?
The canonical SMILES for [(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium is C[C@H](C1=CCC=C1)[N+](C)(C)C.
What is the InChIKey of [(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium?
The InChIKey is ARLSHFFSQJCIAD-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N/c1-9(11(2,3)4)10-7-5-6-8-10/h5,7-9H,6H2,1-4H3/q+1/t9-/m1/s1.
What are the key properties of [(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium?
[(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium has a molecular weight of 152.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyclopenta-1,4-dien-1-ylethyl]-trimethylazanium is sourced from PubChem (CID 137225477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).