2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol

C11H22N2O — CID 106256051

IUPAC2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC1=NCCC1
InChIInChI=1S/C11H22N2O/c1-3-11(4-2,9-14)8-13-10-6-5-7-12-10/h14H,3-9H2,1-2H3,(H,12,13)
InChIKeyUQNKAKBLFFBQKI-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.57
Rot. Bonds5

About 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol

2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol (PubChem CID 106256051) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol
PubChem CID106256051
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC1=NCCC1
InChIInChI=1S/C11H22N2O/c1-3-11(4-2,9-14)8-13-10-6-5-7-12-10/h14H,3-9H2,1-2H3,(H,12,13)
InChIKeyUQNKAKBLFFBQKI-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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Related Compounds

3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol
CID 138488020
3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylpropan-1-ol
CID 79504366
4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutan-1-ol
CID 79504374
3-Methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
CID 79504470
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-ethylbutan-1-ol
CID 79507948
3-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]pentan-1-ol
CID 80289791
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]pentan-1-ol
CID 80289931
3-(3,4-dihydro-2H-pyrrol-5-ylamino)butan-1-ol
CID 83177055
3-(4,5-dihydro-1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol
CID 84073262
3-(4,5-dihydro-1H-imidazol-2-yl)-3-methylbutan-1-ol
CID 84073263
2-(4,5-dihydro-1H-imidazol-2-yl)-3-methylbutan-1-ol
CID 84073264
[4-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]methanol
CID 84073269

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol (CID 106256051) is 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNC1=NCCC1.
What is the InChIKey of 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol?
The InChIKey is UQNKAKBLFFBQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-11(4-2,9-14)8-13-10-6-5-7-12-10/h14H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol?
2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-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 2-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106256051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).