2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine

C10H23NO — CID 138567523

IUPAC2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine
SMILESCNCCOC(C)CC(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(8-10(2,3)4)12-7-6-11-5/h9,11H,6-8H2,1-5H3
InChIKeyHEKQBZWEMZBYNX-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.05
Rot. Bonds5

About 2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine

2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine (PubChem CID 138567523) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine
PubChem CID138567523
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine
SMILESCNCCOC(C)CC(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(8-10(2,3)4)12-7-6-11-5/h9,11H,6-8H2,1-5H3
InChIKeyHEKQBZWEMZBYNX-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane
CID 162034273
2-(2,2-dimethyloctan-4-yloxy)-N-methylethanamine
CID 138567524
2-methyl-2-(methylamino)-4-propoxypentan-1-ol
CID 64808553
4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 106668524
2-tert-butyl-4,4-dimethylpentanal;2-methoxy-N-methylethanamine
CID 145419006
(3R)-3-fluoro-N,5,5-trimethylhexan-1-amine
CID 176737722
methyl 2-methyl-2-(methylamino)-4-(3-methylbutoxy)pentanoate
CID 64706329
N-methyl-3-propan-2-yloxypropan-1-amine
CID 19842664
methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate
CID 64705937
4-(1-ethoxypropan-2-yloxy)-N-methylbutan-1-amine
CID 103490477
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 66224399

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine?
The IUPAC name of 2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine (CID 138567523) is 2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine.
What is the SMILES notation for 2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine?
The canonical SMILES for 2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine is CNCCOC(C)CC(C)(C)C.
What is the InChIKey of 2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine?
The InChIKey is HEKQBZWEMZBYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(8-10(2,3)4)12-7-6-11-5/h9,11H,6-8H2,1-5H3.
What are the key properties of 2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine?
2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine has a molecular weight of 173.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine is sourced from PubChem (CID 138567523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).