N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

C10H18N2O2 — CID 104760800

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOC1(CNC2=NCCC2)CCOC1
InChIInChI=1S/C10H18N2O2/c1-13-10(4-6-14-8-10)7-12-9-3-2-5-11-9/h2-8H2,1H3,(H,11,12)
InChIKeyFLMCANJFXLOGJA-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.57
Rot. Bonds3

About N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 104760800) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID104760800
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOC1(CNC2=NCCC2)CCOC1
InChIInChI=1S/C10H18N2O2/c1-13-10(4-6-14-8-10)7-12-9-3-2-5-11-9/h2-8H2,1H3,(H,11,12)
InChIKeyFLMCANJFXLOGJA-UHFFFAOYSA-N
XLogP0.57
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-Methoxyoxolan-3-yl)methyl]-2-methylguanidine
CID 104704460
N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 104704461
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propylguanidine
CID 104704492
N-[(3-methoxyoxolan-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 104760801
N-[(3-methoxyoxolan-3-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 104760890
N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762084
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanimidamide
CID 104762085
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
CID 104762100
1-[(3-Methoxyoxolan-3-yl)methyl]pyrrolidin-2-imine
CID 104762316
N'-[(3-methoxyoxolan-3-yl)methyl]propanimidamide
CID 104766087
N'-[(3-methoxyoxolan-3-yl)methyl]butanimidamide
CID 104766088
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol
CID 106100551

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 104760800) is N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine is COC1(CNC2=NCCC2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is FLMCANJFXLOGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-13-10(4-6-14-8-10)7-12-9-3-2-5-11-9/h2-8H2,1H3,(H,11,12).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 198.27 g/mol, XLogP of 0.57, 3 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]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 104760800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).