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

C8H16N2O — CID 79507583

IUPAC2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol
SMILESCCC(CO)NC1=NCCC1
InChIInChI=1S/C8H16N2O/c1-2-7(6-11)10-8-4-3-5-9-8/h7,11H,2-6H2,1H3,(H,9,10)
InChIKeyBCBBYDCSTKQEFS-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.54
Rot. Bonds3

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

2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol (PubChem CID 79507583) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol
PubChem CID79507583
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol
SMILESCCC(CO)NC1=NCCC1
InChIInChI=1S/C8H16N2O/c1-2-7(6-11)10-8-4-3-5-9-8/h7,11H,2-6H2,1H3,(H,9,10)
InChIKeyBCBBYDCSTKQEFS-UHFFFAOYSA-N
XLogP0.54
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66718048
N-(2-hydroxyethyl)-N'-methylpentanimidamide
CID 90250612
1-N'-cyclopentyl-3-N-(2-hydroxyethyl)-3-N',2-dimethylpropanediimidamide
CID 123165868
N-(4-hydroxybutyl)-N'-methylethanimidamide
CID 123995490
2-[2-(1-Aminopropyl)-4,5-dihydroimidazol-1-yl]ethanol
CID 178606174
2-[(3,4-Dihydro-2H-pyrrol-5-yl)amino]ethan-1-ol
CID 45588734
(2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol
CID 73012119
N'-hydroxy-4-(1-hydroxybutan-2-ylamino)butanimidamide
CID 77029187
N-(1-methoxypropan-2-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 78909241
2-(3,4-dihydro-2H-pyrrol-5-ylamino)propane-1,3-diol
CID 79503345
2-(2,3,4,5-Tetrahydropyridin-6-ylamino)propane-1,3-diol
CID 79503440
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylbutan-1-ol
CID 79503528

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol (CID 79507583) is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol is CCC(CO)NC1=NCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol?
The InChIKey is BCBBYDCSTKQEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-7(6-11)10-8-4-3-5-9-8/h7,11H,2-6H2,1H3,(H,9,10).
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol?
2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol is sourced from PubChem (CID 79507583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).