N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine

C8H16N2O — CID 78909241

IUPACN-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOCC(C)NC1=NCCC1
InChIInChI=1S/C8H16N2O/c1-7(6-11-2)10-8-4-3-5-9-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyHQNLHNJQPSNYBQ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.80
Rot. Bonds3

About N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine

N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 78909241) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID78909241
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOCC(C)NC1=NCCC1
InChIInChI=1S/C8H16N2O/c1-7(6-11-2)10-8-4-3-5-9-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyHQNLHNJQPSNYBQ-UHFFFAOYSA-N
XLogP0.80
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine (CID 78909241) is N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine is COCC(C)NC1=NCCC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is HQNLHNJQPSNYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(6-11-2)10-8-4-3-5-9-8/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 156.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 78909241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).