(2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium

C11H24N+ — CID 123487825

IUPAC(2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium
SMILESCCC1(C)CC1[N+](C)(C)C(C)C
InChIInChI=1S/C11H24N/c1-7-11(4)8-10(11)12(5,6)9(2)3/h9-10H,7-8H2,1-6H3/q+1
InChIKeyMBIUKSQOQPZVBQ-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.66
Rot. Bonds3

About (2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium

(2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium (PubChem CID 123487825) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is (2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium.

Molecular Properties

Compound Name(2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium
PubChem CID123487825
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Name(2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium
SMILESCCC1(C)CC1[N+](C)(C)C(C)C
InChIInChI=1S/C11H24N/c1-7-11(4)8-10(11)12(5,6)9(2)3/h9-10H,7-8H2,1-6H3/q+1
InChIKeyMBIUKSQOQPZVBQ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
2-ethyl-2-methylcyclopropan-1-amine
CID 62389905
N-[(2-ethyl-2-methylcyclopropyl)methyl]propan-2-amine
CID 62704797
2-(2-ethyl-2-methylcyclopropyl)-2-methyl-1-propan-2-ylaziridine
CID 134195935
3-ethyl-1,3-dimethylbicyclo[2.1.0]pentane
CID 123276891
(2R)-3-ethyl-2,3-dimethylazetidine
CID 146985830
1-ethyl-1-methyl-2-propylcyclopropane
CID 72514753
(2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium
CID 123785816
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
2-ethyl-2-methylcyclopropane-1-carbaldehyde
CID 54353190

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium?
The IUPAC name of (2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium (CID 123487825) is (2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium.
What is the SMILES notation for (2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium?
The canonical SMILES for (2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium is CCC1(C)CC1[N+](C)(C)C(C)C.
What is the InChIKey of (2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium?
The InChIKey is MBIUKSQOQPZVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-7-11(4)8-10(11)12(5,6)9(2)3/h9-10H,7-8H2,1-6H3/q+1.
What are the key properties of (2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium?
(2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium has a molecular weight of 170.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-methylcyclopropyl)-dimethyl-propan-2-ylazanium is sourced from PubChem (CID 123487825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).