trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium

C13H26N+ — CID 11891418

IUPACtrimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
SMILESCC1=C[C@@H](C)[C@H](C[N+](C)(C)C)[C@H](C)C1
InChIInChI=1S/C13H26N/c1-10-7-11(2)13(12(3)8-10)9-14(4,5)6/h7,11-13H,8-9H2,1-6H3/q+1/t11-,12-,13+/m1/s1
InChIKeyBMJOTGJLAJOLGB-UPJWGTAASA-N
MW196.36 g/mol
LogP2.93
Rot. Bonds2

About trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium

trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium (PubChem CID 11891418) has the molecular formula C13H26N+ and a molecular weight of 196.36 g/mol. Its IUPAC name is trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
PubChem CID11891418
Molecular FormulaC13H26N+
Molecular Weight196.36 g/mol
Exact Mass196.21
IUPAC Nametrimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
SMILESCC1=C[C@@H](C)[C@H](C[N+](C)(C)C)[C@H](C)C1
InChIInChI=1S/C13H26N/c1-10-7-11(2)13(12(3)8-10)9-14(4,5)6/h7,11-13H,8-9H2,1-6H3/q+1/t11-,12-,13+/m1/s1
InChIKeyBMJOTGJLAJOLGB-UPJWGTAASA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 98157758
N,N-dimethyl-1-[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 40543075
N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 7302881
2-[[(1R,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl-[[(1S,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]amino]ethanol
CID 98284061
2-methylpropyl-[[(1S,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
CID 7380900
1,3,4,5-tetramethylcyclohexene
CID 12751050
N-methyl-N-[[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
CID 6945433
N-methyl-N-[[(1R,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]acetamide
CID 11898076
diethyl-methyl-[2-oxo-2-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methoxy]ethyl]azanium
CID 11889053
N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]aniline
CID 7007154
phenyl-[[(1R,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
CID 11898082
N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
CID 5009124

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium?
The IUPAC name of trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium (CID 11891418) is trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium.
What is the SMILES notation for trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium?
The canonical SMILES for trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium is CC1=C[C@@H](C)[C@H](C[N+](C)(C)C)[C@H](C)C1.
What is the InChIKey of trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium?
The InChIKey is BMJOTGJLAJOLGB-UPJWGTAASA-N. The full InChI is InChI=1S/C13H26N/c1-10-7-11(2)13(12(3)8-10)9-14(4,5)6/h7,11-13H,8-9H2,1-6H3/q+1/t11-,12-,13+/m1/s1.
What are the key properties of trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium?
trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium has a molecular weight of 196.36 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium is sourced from PubChem (CID 11891418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).