N-methyl-2-(2-methylpentan-2-yloxy)ethanamine

C9H21NO — CID 144977046

IUPACN-methyl-2-(2-methylpentan-2-yloxy)ethanamine
SMILESCCCC(C)(C)OCCNC
InChIInChI=1S/C9H21NO/c1-5-6-9(2,3)11-8-7-10-4/h10H,5-8H2,1-4H3
InChIKeyDKBCLQILMQUXHJ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds6

About N-methyl-2-(2-methylpentan-2-yloxy)ethanamine

N-methyl-2-(2-methylpentan-2-yloxy)ethanamine (PubChem CID 144977046) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-methyl-2-(2-methylpentan-2-yloxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpentan-2-yloxy)ethanamine
PubChem CID144977046
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-methyl-2-(2-methylpentan-2-yloxy)ethanamine
SMILESCCCC(C)(C)OCCNC
InChIInChI=1S/C9H21NO/c1-5-6-9(2,3)11-8-7-10-4/h10H,5-8H2,1-4H3
InChIKeyDKBCLQILMQUXHJ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
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-(Tert-butoxy)ethyl)(methyl)amine
CID 53413892
Methyl((2-((1-methylcyclopentyl)oxy)ethyl))amine
CID 144691590
N'-[2-(2,4,4-trimethylpentan-2-yloxy)ethyl]propane-1,3-diamine
CID 14389686
2-(3,3-dimethylbutoxy)-N-methylethanamine
CID 23381234
Ethanamine, N-methyl-2-(pentyloxy)-
CID 53863270
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 54149244
Ethanamine, N-methyl-2-(3-methylbutoxy)-
CID 59817421
N-methyl-2-(4-methylpentoxy)ethanamine
CID 59817427
N-ethyl-2-(3-methylbutoxy)ethanamine
CID 61483702
N-methyl-2-(2-methylbutan-2-yloxy)ethanamine
CID 61683897
[2-(Tert-butoxy)ethyl](ethyl)amine
CID 61684474
N-ethyl-2-(4-methylpentoxy)ethanamine
CID 61684476

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpentan-2-yloxy)ethanamine?
The IUPAC name of N-methyl-2-(2-methylpentan-2-yloxy)ethanamine (CID 144977046) is N-methyl-2-(2-methylpentan-2-yloxy)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylpentan-2-yloxy)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylpentan-2-yloxy)ethanamine is CCCC(C)(C)OCCNC.
What is the InChIKey of N-methyl-2-(2-methylpentan-2-yloxy)ethanamine?
The InChIKey is DKBCLQILMQUXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-6-9(2,3)11-8-7-10-4/h10H,5-8H2,1-4H3.
What are the key properties of N-methyl-2-(2-methylpentan-2-yloxy)ethanamine?
N-methyl-2-(2-methylpentan-2-yloxy)ethanamine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpentan-2-yloxy)ethanamine is sourced from PubChem (CID 144977046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).