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

C11H23NO2 — CID 104759754

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine
SMILESCOC1(CNCCC(C)C)CCOC1
InChIInChI=1S/C11H23NO2/c1-10(2)4-6-12-8-11(13-3)5-7-14-9-11/h10,12H,4-9H2,1-3H3
InChIKeyKDFJOYYABGFURU-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds6

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

N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine (PubChem CID 104759754) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine
PubChem CID104759754
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine
SMILESCOC1(CNCCC(C)C)CCOC1
InChIInChI=1S/C11H23NO2/c1-10(2)4-6-12-8-11(13-3)5-7-14-9-11/h10,12H,4-9H2,1-3H3
InChIKeyKDFJOYYABGFURU-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.43
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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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine (CID 104759754) is N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine is COC1(CNCCC(C)C)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is KDFJOYYABGFURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2)4-6-12-8-11(13-3)5-7-14-9-11/h10,12H,4-9H2,1-3H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 104759754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).