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

C10H20N2O — CID 79503143

IUPACN-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOCC(NC1=NCCC1)C(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)9(7-13-3)12-10-5-4-6-11-10/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyJULQQTSARTVWLP-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.44
Rot. Bonds4

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

N-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79503143) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79503143
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOCC(NC1=NCCC1)C(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)9(7-13-3)12-10-5-4-6-11-10/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyJULQQTSARTVWLP-UHFFFAOYSA-N
XLogP1.44
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine (CID 79503143) is N-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine is COCC(NC1=NCCC1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is JULQQTSARTVWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)9(7-13-3)12-10-5-4-6-11-10/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 184.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79503143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).