2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine

C12H25NO2 — CID 104748945

IUPAC2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
SMILESCC(C)CCCOCC(N)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-10(2)4-3-6-14-9-12(13)11-5-7-15-8-11/h10-12H,3-9,13H2,1-2H3
InChIKeyPFVXUXMRXBXUDV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.80
Rot. Bonds7

About 2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine

2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine (PubChem CID 104748945) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
PubChem CID104748945
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
SMILESCC(C)CCCOCC(N)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-10(2)4-3-6-14-9-12(13)11-5-7-15-8-11/h10-12H,3-9,13H2,1-2H3
InChIKeyPFVXUXMRXBXUDV-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.80
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

2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
CID 104748684
1-cyclopropyl-2-(4-methylpentoxy)ethanamine
CID 63906046
N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 107869656
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924
2-(cyclohexylmethoxy)-1-(oxolan-3-yl)ethanamine
CID 104749361
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745360
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
1-(oxolan-3-yl)butan-1-amine
CID 63564938
N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745597
N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744855
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
4-ethoxy-1-(oxan-4-yl)butan-1-amine
CID 105147258

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine (CID 104748945) is 2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine is CC(C)CCCOCC(N)C1CCOC1.
What is the InChIKey of 2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine?
The InChIKey is PFVXUXMRXBXUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)4-3-6-14-9-12(13)11-5-7-15-8-11/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine?
2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine has a molecular weight of 215.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104748945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).