trimethyl-(2-phenylcyclopropyl)azanium

C12H18N+ — CID 3797998

IUPACtrimethyl-(2-phenylcyclopropyl)azanium
SMILESC[N+](C)(C)C1CC1c1ccccc1
InChIInChI=1S/C12H18N/c1-13(2,3)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/q+1
InChIKeyXMQAHSZRAOPFJH-UHFFFAOYSA-N
MW176.28 g/mol
LogP2.25
Rot. Bonds2

About trimethyl-(2-phenylcyclopropyl)azanium

trimethyl-(2-phenylcyclopropyl)azanium (PubChem CID 3797998) has the molecular formula C12H18N+ and a molecular weight of 176.28 g/mol. Its IUPAC name is trimethyl-(2-phenylcyclopropyl)azanium.

Molecular Properties

Compound Nametrimethyl-(2-phenylcyclopropyl)azanium
PubChem CID3797998
Molecular FormulaC12H18N+
Molecular Weight176.28 g/mol
Exact Mass176.14
IUPAC Nametrimethyl-(2-phenylcyclopropyl)azanium
SMILESC[N+](C)(C)C1CC1c1ccccc1
InChIInChI=1S/C12H18N/c1-13(2,3)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/q+1
InChIKeyXMQAHSZRAOPFJH-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 52.25
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

trimethyl-[(2R,3R,4S,6S)-3-methyl-2,6-diphenyloxan-4-yl]azanium
CID 23254826
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
(1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol
CID 131136395
ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc
CID 177478174
(2S)-2,5-dimethyl-3-phenyloxolane
CID 59883452
CID 135048454
CID 135048454
2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol
CID 102315759
(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine
CID 98233070

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-phenylcyclopropyl)azanium?
The IUPAC name of trimethyl-(2-phenylcyclopropyl)azanium (CID 3797998) is trimethyl-(2-phenylcyclopropyl)azanium.
What is the SMILES notation for trimethyl-(2-phenylcyclopropyl)azanium?
The canonical SMILES for trimethyl-(2-phenylcyclopropyl)azanium is C[N+](C)(C)C1CC1c1ccccc1.
What is the InChIKey of trimethyl-(2-phenylcyclopropyl)azanium?
The InChIKey is XMQAHSZRAOPFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N/c1-13(2,3)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/q+1.
What are the key properties of trimethyl-(2-phenylcyclopropyl)azanium?
trimethyl-(2-phenylcyclopropyl)azanium has a molecular weight of 176.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-phenylcyclopropyl)azanium is sourced from PubChem (CID 3797998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).