1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol

C9H18N2O — CID 79503438

IUPAC1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC1=NCCC1
InChIInChI=1S/C9H18N2O/c1-3-9(2,12)7-11-8-5-4-6-10-8/h12H,3-7H2,1-2H3,(H,10,11)
InChIKeyQREJLIHKNKWNLD-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.93
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol

1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol (PubChem CID 79503438) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol
PubChem CID79503438
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC1=NCCC1
InChIInChI=1S/C9H18N2O/c1-3-9(2,12)7-11-8-5-4-6-10-8/h12H,3-7H2,1-2H3,(H,10,11)
InChIKeyQREJLIHKNKWNLD-UHFFFAOYSA-N
XLogP0.93
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol (CID 79503438) is 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol is CCC(C)(O)CNC1=NCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol?
The InChIKey is QREJLIHKNKWNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-9(2,12)7-11-8-5-4-6-10-8/h12H,3-7H2,1-2H3,(H,10,11).
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol?
1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol has a molecular weight of 170.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 79503438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).