(2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium

C11H24N+ — CID 123785816

IUPAC(2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium
SMILESCCC(C)C1CC1(C)[N+](C)(C)C
InChIInChI=1S/C11H24N/c1-7-9(2)10-8-11(10,3)12(4,5)6/h9-10H,7-8H2,1-6H3/q+1
InChIKeyGOKKQNTUHOZYTM-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.52
Rot. Bonds3

About (2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium

(2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium (PubChem CID 123785816) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is (2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium.

Molecular Properties

Compound Name(2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium
PubChem CID123785816
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Name(2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium
SMILESCCC(C)C1CC1(C)[N+](C)(C)C
InChIInChI=1S/C11H24N/c1-7-9(2)10-8-11(10,3)12(4,5)6/h9-10H,7-8H2,1-6H3/q+1
InChIKeyGOKKQNTUHOZYTM-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 52.52
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

2-butan-2-yl-1-methyl-1-pentylcyclopropane
CID 123764144
2-butan-2-yl-1-methyl-1-(2-methylbut-3-en-2-yl)cyclopropane
CID 123282497
2-butan-2-yl-1-methyl-1-propylcyclobutane
CID 145223890
N,1-dimethyl-2-(5-methylhex-4-en-2-yl)-N-propan-2-ylcyclopropan-1-amine oxide
CID 175541599
2-butan-2-yl-5-ethyl-6,7-dimethylspiro[2.4]heptane
CID 123434058
3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol
CID 123875963
2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane
CID 123673785
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane
CID 123269538
4-butan-2-yl-1,1,3-trimethylcyclohexane
CID 142412996
5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane
CID 123322308
5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane
CID 145177896

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium?
The IUPAC name of (2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium (CID 123785816) is (2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium.
What is the SMILES notation for (2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium?
The canonical SMILES for (2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium is CCC(C)C1CC1(C)[N+](C)(C)C.
What is the InChIKey of (2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium?
The InChIKey is GOKKQNTUHOZYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-7-9(2)10-8-11(10,3)12(4,5)6/h9-10H,7-8H2,1-6H3/q+1.
What are the key properties of (2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium?
(2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium has a molecular weight of 170.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium is sourced from PubChem (CID 123785816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).