3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine

C12H25NO3 — CID 103033581

IUPAC3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCC1(OC)CCOC1
InChIInChI=1S/C12H25NO3/c1-11(2,14-3)5-7-13-9-12(15-4)6-8-16-10-12/h13H,5-10H2,1-4H3
InChIKeySTQQFRUEWCPIBN-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.20
Rot. Bonds7

About 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine

3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine (PubChem CID 103033581) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine
PubChem CID103033581
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCC1(OC)CCOC1
InChIInChI=1S/C12H25NO3/c1-11(2,14-3)5-7-13-9-12(15-4)6-8-16-10-12/h13H,5-10H2,1-4H3
InChIKeySTQQFRUEWCPIBN-UHFFFAOYSA-N
XLogP1.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine (CID 103033581) is 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine is COC(C)(C)CCNCC1(OC)CCOC1.
What is the InChIKey of 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is STQQFRUEWCPIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(2,14-3)5-7-13-9-12(15-4)6-8-16-10-12/h13H,5-10H2,1-4H3.
What are the key properties of 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine?
3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 103033581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).