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

C16H33NO2 — CID 104760902

IUPACN-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCC1(OC)CCOC1
InChIInChI=1S/C16H33NO2/c1-3-4-5-6-7-8-9-10-12-17-14-16(18-2)11-13-19-15-16/h17H,3-15H2,1-2H3
InChIKeyYCPMLGRLZXZGKB-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.52
Rot. Bonds12

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

N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine (PubChem CID 104760902) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine
PubChem CID104760902
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCC1(OC)CCOC1
InChIInChI=1S/C16H33NO2/c1-3-4-5-6-7-8-9-10-12-17-14-16(18-2)11-13-19-15-16/h17H,3-15H2,1-2H3
InChIKeyYCPMLGRLZXZGKB-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.52
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

4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol
CID 104760742
4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol
CID 104760933
2-ethylsulfonyl-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760821
N-[2-[(3-methoxyoxolan-3-yl)methylamino]ethyl]acetamide
CID 107529927
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079
N-[(3-methoxyoxolan-3-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 104760689
N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
CID 104762088
1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
CID 104760822
N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 104760831
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975
(E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine
CID 107899239
ethyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanoate
CID 104760859

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine (CID 104760902) is N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine is CCCCCCCCCCNCC1(OC)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine?
The InChIKey is YCPMLGRLZXZGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-3-4-5-6-7-8-9-10-12-17-14-16(18-2)11-13-19-15-16/h17H,3-15H2,1-2H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine has a molecular weight of 271.44 g/mol, XLogP of 3.52, 12 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]decan-1-amine is sourced from PubChem (CID 104760902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).