2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine

C10H21NO3 — CID 63686991

IUPAC2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine
SMILESCOC(CNC(C)C1CCCO1)OC
InChIInChI=1S/C10H21NO3/c1-8(9-5-4-6-14-9)11-7-10(12-2)13-3/h8-11H,4-7H2,1-3H3
InChIKeyQMSUTAUMVCJIOO-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.76
Rot. Bonds6

About 2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine

2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine (PubChem CID 63686991) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine
PubChem CID63686991
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine
SMILESCOC(CNC(C)C1CCCO1)OC
InChIInChI=1S/C10H21NO3/c1-8(9-5-4-6-14-9)11-7-10(12-2)13-3/h8-11H,4-7H2,1-3H3
InChIKeyQMSUTAUMVCJIOO-UHFFFAOYSA-N
XLogP0.76
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441277
4-methoxy-N-[1-(oxolan-2-yl)ethyl]butan-1-amine
CID 104531009
1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938470
1-[(2-methylpropan-2-yl)oxy]-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938374
1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938520
1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol
CID 167757207
N',N'-bis(2-methoxyethyl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62561783
(2R)-2-(dimethoxymethyl)oxolane
CID 93340923
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 79183686
N-[2-(cyclopropylmethoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62599763
N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine
CID 113423521

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine (CID 63686991) is 2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine is COC(CNC(C)C1CCCO1)OC.
What is the InChIKey of 2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine?
The InChIKey is QMSUTAUMVCJIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(9-5-4-6-14-9)11-7-10(12-2)13-3/h8-11H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine?
2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine has a molecular weight of 203.28 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 63686991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).