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

C10H18N+ — CID 134090140

IUPACtrimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium
SMILESCC1=C(C[N+](C)(C)C)CC=C1
InChIInChI=1S/C10H18N/c1-9-6-5-7-10(9)8-11(2,3)4/h5-6H,7-8H2,1-4H3/q+1
InChIKeyOXZGOQXTKKRXSD-UHFFFAOYSA-N
MW152.26 g/mol
LogP1.97
Rot. Bonds2

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

trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium (PubChem CID 134090140) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium
PubChem CID134090140
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Nametrimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium
SMILESCC1=C(C[N+](C)(C)C)CC=C1
InChIInChI=1S/C10H18N/c1-9-6-5-7-10(9)8-11(2,3)4/h5-6H,7-8H2,1-4H3/q+1
InChIKeyOXZGOQXTKKRXSD-UHFFFAOYSA-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

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
o-Lithiodimethylbenzylamine
CID 10866427
2,6-Bis(dimethylaminomethyl)phenyllithium
CID 11830389
3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
2-Diethylaminomethylphenyllithium
CID 21399648

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium?
The IUPAC name of trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium (CID 134090140) is trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium.
What is the SMILES notation for trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium?
The canonical SMILES for trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium is CC1=C(C[N+](C)(C)C)CC=C1.
What is the InChIKey of trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium?
The InChIKey is OXZGOQXTKKRXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N/c1-9-6-5-7-10(9)8-11(2,3)4/h5-6H,7-8H2,1-4H3/q+1.
What are the key properties of trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium?
trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium 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 trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium is sourced from PubChem (CID 134090140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).