2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine

C10H21NO2 — CID 102608355

IUPAC2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine
SMILESCCC(C)(C)NCCOC1COC1
InChIInChI=1S/C10H21NO2/c1-4-10(2,3)11-5-6-13-9-7-12-8-9/h9,11H,4-8H2,1-3H3
InChIKeyBALMFVPZRGWCPV-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds6

About 2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine

2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine (PubChem CID 102608355) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine
PubChem CID102608355
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine
SMILESCCC(C)(C)NCCOC1COC1
InChIInChI=1S/C10H21NO2/c1-4-10(2,3)11-5-6-13-9-7-12-8-9/h9,11H,4-8H2,1-3H3
InChIKeyBALMFVPZRGWCPV-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine (CID 102608355) is 2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine is CCC(C)(C)NCCOC1COC1.
What is the InChIKey of 2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine?
The InChIKey is BALMFVPZRGWCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-10(2,3)11-5-6-13-9-7-12-8-9/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine?
2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine has a molecular weight of 187.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(oxetan-3-yloxy)ethyl]butan-2-amine is sourced from PubChem (CID 102608355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).