2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium

C17H33N2+ — CID 22443856

IUPAC2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium
SMILESCC1=C(C)C(CC[N+](C)(C)CCN(C)C)C(C)=C1C
InChIInChI=1S/C17H33N2/c1-13-14(2)16(4)17(15(13)3)9-11-19(7,8)12-10-18(5)6/h17H,9-12H2,1-8H3/q+1
InChIKeyPMVKSJNJWWIHIQ-UHFFFAOYSA-N
MW265.46 g/mol
LogP3.32
Rot. Bonds6

About 2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium

2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium (PubChem CID 22443856) has the molecular formula C17H33N2+ and a molecular weight of 265.46 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium.

Molecular Properties

Compound Name2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium
PubChem CID22443856
Molecular FormulaC17H33N2+
Molecular Weight265.46 g/mol
Exact Mass265.26
IUPAC Name2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium
SMILESCC1=C(C)C(CC[N+](C)(C)CCN(C)C)C(C)=C1C
InChIInChI=1S/C17H33N2/c1-13-14(2)16(4)17(15(13)3)9-11-19(7,8)12-10-18(5)6/h17H,9-12H2,1-8H3/q+1
InChIKeyPMVKSJNJWWIHIQ-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium?
The IUPAC name of 2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium (CID 22443856) is 2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium.
What is the SMILES notation for 2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium?
The canonical SMILES for 2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium is CC1=C(C)C(CC[N+](C)(C)CCN(C)C)C(C)=C1C.
What is the InChIKey of 2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium?
The InChIKey is PMVKSJNJWWIHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N2/c1-13-14(2)16(4)17(15(13)3)9-11-19(7,8)12-10-18(5)6/h17H,9-12H2,1-8H3/q+1.
What are the key properties of 2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium?
2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium has a molecular weight of 265.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl-dimethyl-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]azanium is sourced from PubChem (CID 22443856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).