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

C11H22N2O — CID 106147104

IUPAC5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNC1=NCCC1
InChIInChI=1S/C11H22N2O/c1-11(2,6-4-8-14)9-13-10-5-3-7-12-10/h14H,3-9H2,1-2H3,(H,12,13)
InChIKeyWUCMCPOEAOSBPL-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.57
Rot. Bonds5

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

5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106147104) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol
PubChem CID106147104
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNC1=NCCC1
InChIInChI=1S/C11H22N2O/c1-11(2,6-4-8-14)9-13-10-5-3-7-12-10/h14H,3-9H2,1-2H3,(H,12,13)
InChIKeyWUCMCPOEAOSBPL-UHFFFAOYSA-N
XLogP1.57
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol (CID 106147104) is 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNC1=NCCC1.
What is the InChIKey of 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is WUCMCPOEAOSBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,6-4-8-14)9-13-10-5-3-7-12-10/h14H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol?
5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106147104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).