(1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine

C9H13BrN- — CID 164665887

IUPAC(1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine
SMILESC[C@H]([c-]1cccc1Br)N(C)C
InChIInChI=1S/C9H13BrN/c1-7(11(2)3)8-5-4-6-9(8)10/h4-7H,1-3H3/q-1/t7-/m1/s1
InChIKeyITMUJIVAVLSIPG-SSDOTTSWSA-N
MW215.11 g/mol
LogP2.79
Rot. Bonds2

About (1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine

(1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine (PubChem CID 164665887) has the molecular formula C9H13BrN- and a molecular weight of 215.11 g/mol. Its IUPAC name is (1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine
PubChem CID164665887
Molecular FormulaC9H13BrN-
Molecular Weight215.11 g/mol
Exact Mass214.02
IUPAC Name(1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine
SMILESC[C@H]([c-]1cccc1Br)N(C)C
InChIInChI=1S/C9H13BrN/c1-7(11(2)3)8-5-4-6-9(8)10/h4-7H,1-3H3/q-1/t7-/m1/s1
InChIKeyITMUJIVAVLSIPG-SSDOTTSWSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 52.79
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;(1S)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron(2+)
CID 131726978
cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron(2+)
CID 71311283
(1S)-1-[2-[(2-dicyclohexylphosphanylphenyl)-methylphosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 134959452
1-(2-bromo-5-diphenylphosphanyl-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;cyclopentane;iron
CID 87634571
1-(dimethylamino)ethanol;toluene
CID 118211562
1-[1-(2-bromophenyl)cyclopropyl]-N,N-dimethylethanamine
CID 115049914
2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide
CID 58917000
2-bromo-N-methyl-N-propan-2-ylaniline
CID 53401387
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
1-chloro-5-propan-2-ylcyclopenta-1,3-diene;cyclopentane;hydrogen peroxide;iron
CID 175483222
2-[(2-bromophenyl)-(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913837
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of (1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine (CID 164665887) is (1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for (1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for (1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine is C[C@H]([c-]1cccc1Br)N(C)C.
What is the InChIKey of (1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine?
The InChIKey is ITMUJIVAVLSIPG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13BrN/c1-7(11(2)3)8-5-4-6-9(8)10/h4-7H,1-3H3/q-1/t7-/m1/s1.
What are the key properties of (1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine?
(1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine has a molecular weight of 215.11 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromocyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 164665887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).