trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium

C13H26N2+2 — CID 102201326

IUPACtrimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium
SMILESC[N+](C)(C)CC1=C(C[N+](C)(C)C)CC=C1
InChIInChI=1S/C13H26N2/c1-14(2,3)10-12-8-7-9-13(12)11-15(4,5)6/h7-8H,9-11H2,1-6H3/q+2
InChIKeyPRRODDPOBYHYTC-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.66
Rot. Bonds4

About trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium

trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium (PubChem CID 102201326) has the molecular formula C13H26N2+2 and a molecular weight of 210.36 g/mol. Its IUPAC name is trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium
PubChem CID102201326
Molecular FormulaC13H26N2+2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nametrimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium
SMILESC[N+](C)(C)CC1=C(C[N+](C)(C)C)CC=C1
InChIInChI=1S/C13H26N2/c1-14(2,3)10-12-8-7-9-13(12)11-15(4,5)6/h7-8H,9-11H2,1-6H3/q+2
InChIKeyPRRODDPOBYHYTC-UHFFFAOYSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.66
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

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
Ferrocene, ((dimethylamino)methyl)-
CID 16211226
C14H19FeN
CID 16212256
(R)-(+)-N,N-Dimethyl-1-ferrocenylethylamine, 97%
CID 16212257
1,3-Cyclopentadiene, 5-[2-(dimethylamino)ethyl]-
CID 546878
(N,N-dimethylaminoethyl)cyclopentadiene
CID 12154709
alpha-(N,N-Dimethylamino)ethylferrocene
CID 11010616
-(N,N-Dimethylamino)ethylferrocene
CID 102600828
2,6-Bis(dimethylaminomethyl)phenyllithium
CID 11830389
3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
2-(Cyclooctatetraenyl)ethyl-trimethylazanium
CID 91292553
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium?
The IUPAC name of trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium (CID 102201326) is trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium.
What is the SMILES notation for trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium?
The canonical SMILES for trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium is C[N+](C)(C)CC1=C(C[N+](C)(C)C)CC=C1.
What is the InChIKey of trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium?
The InChIKey is PRRODDPOBYHYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-14(2,3)10-12-8-7-9-13(12)11-15(4,5)6/h7-8H,9-11H2,1-6H3/q+2.
What are the key properties of trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium?
trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium has a molecular weight of 210.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[2-[(trimethylazaniumyl)methyl]cyclopenta-1,3-dien-1-yl]methyl]azanium is sourced from PubChem (CID 102201326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).