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

C9H18N2O — CID 79504374

IUPAC4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNC1=NCCC1
InChIInChI=1S/C9H18N2O/c1-8(4-6-12)7-11-9-3-2-5-10-9/h8,12H,2-7H2,1H3,(H,10,11)
InChIKeyRMUKYJIHWAJHOT-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.79
Rot. Bonds4

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

4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol (PubChem CID 79504374) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol
PubChem CID79504374
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNC1=NCCC1
InChIInChI=1S/C9H18N2O/c1-8(4-6-12)7-11-9-3-2-5-10-9/h8,12H,2-7H2,1H3,(H,10,11)
InChIKeyRMUKYJIHWAJHOT-UHFFFAOYSA-N
XLogP0.79
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol?
The IUPAC name of 4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol (CID 79504374) is 4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for 4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol is CC(CCO)CNC1=NCCC1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol?
The InChIKey is RMUKYJIHWAJHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(4-6-12)7-11-9-3-2-5-10-9/h8,12H,2-7H2,1H3,(H,10,11).
What are the key properties of 4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol?
4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol has a molecular weight of 170.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 79504374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).