N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine

C11H18N2O2 — CID 104704966

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
SMILESCOC1(CNCc2cc[nH]c2)CCOC1
InChIInChI=1S/C11H18N2O2/c1-14-11(3-5-15-9-11)8-13-7-10-2-4-12-6-10/h2,4,6,12-13H,3,5,7-9H2,1H3
InChIKeyYEHFCQYIJQXUNN-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.91
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine

N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine (PubChem CID 104704966) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
PubChem CID104704966
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
SMILESCOC1(CNCc2cc[nH]c2)CCOC1
InChIInChI=1S/C11H18N2O2/c1-14-11(3-5-15-9-11)8-13-7-10-2-4-12-6-10/h2,4,6,12-13H,3,5,7-9H2,1H3
InChIKeyYEHFCQYIJQXUNN-UHFFFAOYSA-N
XLogP0.91
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104759669
N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine
CID 104705116
N-[(4-methyloxan-4-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115686396
1-(3,4-dibromophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113443345
N-[(3-methoxyoxolan-3-yl)methyl]-1-(3,4,5-trifluorophenyl)methanamine
CID 104705112
1-[3-(methoxymethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704964
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 104759716
1-(4-bromo-3-chlorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 103581860
1-(3-bromo-4-methylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705138
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
[4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol
CID 115751845

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine (CID 104704966) is N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine is COC1(CNCc2cc[nH]c2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
The InChIKey is YEHFCQYIJQXUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-14-11(3-5-15-9-11)8-13-7-10-2-4-12-6-10/h2,4,6,12-13H,3,5,7-9H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine has a molecular weight of 210.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 104704966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).