N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine

C12H23NO3 — CID 104704975

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCOC1(CNCC2CCOCC2)CCOC1
InChIInChI=1S/C12H23NO3/c1-14-12(4-7-16-10-12)9-13-8-11-2-5-15-6-3-11/h11,13H,2-10H2,1H3
InChIKeyIQMPPBKCINMIJS-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.81
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine

N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 104704975) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID104704975
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCOC1(CNCC2CCOCC2)CCOC1
InChIInChI=1S/C12H23NO3/c1-14-12(4-7-16-10-12)9-13-8-11-2-5-15-6-3-11/h11,13H,2-10H2,1H3
InChIKeyIQMPPBKCINMIJS-UHFFFAOYSA-N
XLogP0.81
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine
CID 103991529
4-[(3-methoxyoxolan-3-yl)methylamino]butan-1-ol
CID 104760742
N-cyclopropyl-2-[(3-methoxyoxolan-3-yl)methylamino]-N-methylacetamide
CID 104760856
4-[(3-methoxyoxolan-3-yl)methylamino]-2-methylbutan-2-ol
CID 104760933
4-N-[(3-methoxyoxolan-3-yl)methyl]cyclohexane-1,4-diamine
CID 104759812
1-[(3-methoxyoxolan-3-yl)methylamino]butan-2-ol
CID 104760822
(E)-N-[(3-methoxyoxolan-3-yl)methyl]but-2-en-1-amine
CID 107899239
N-[2-[(3-methoxyoxolan-3-yl)methylamino]ethyl]acetamide
CID 107529927
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
N-[(3-methoxyoxolan-3-yl)methyl]decan-1-amine
CID 104760902
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 104705079
1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104759669

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine (CID 104704975) is N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine is COC1(CNCC2CCOCC2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is IQMPPBKCINMIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-14-12(4-7-16-10-12)9-13-8-11-2-5-15-6-3-11/h11,13H,2-10H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine?
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 229.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 104704975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).