1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine

C11H23NO4 — CID 104759779

IUPAC1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
SMILESCOC(OC)C(C)NCC1(OC)CCOC1
InChIInChI=1S/C11H23NO4/c1-9(10(13-2)14-3)12-7-11(15-4)5-6-16-8-11/h9-10,12H,5-8H2,1-4H3
InChIKeyRLMMAZICWQDUHX-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.39
Rot. Bonds7

About 1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine

1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine (PubChem CID 104759779) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
PubChem CID104759779
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
SMILESCOC(OC)C(C)NCC1(OC)CCOC1
InChIInChI=1S/C11H23NO4/c1-9(10(13-2)14-3)12-7-11(15-4)5-6-16-8-11/h9-10,12H,5-8H2,1-4H3
InChIKeyRLMMAZICWQDUHX-UHFFFAOYSA-N
XLogP0.39
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705834
2-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104704803
1-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]butan-2-amine
CID 104705931
N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
CID 104762099
4-[(3-methoxyoxolan-3-yl)methylamino]pentanoic acid
CID 104759780
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
N-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 104705951
1-(azepan-1-yl)-2-[(3-methoxyoxolan-3-yl)methylamino]propan-1-one
CID 104704791
methyl 2-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104704764
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 104705771

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine?
The IUPAC name of 1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine (CID 104759779) is 1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine is COC(OC)C(C)NCC1(OC)CCOC1.
What is the InChIKey of 1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine?
The InChIKey is RLMMAZICWQDUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-9(10(13-2)14-3)12-7-11(15-4)5-6-16-8-11/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine?
1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine has a molecular weight of 233.31 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 104759779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).