3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol

C12H22N2O — CID 103578645

IUPAC3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNCc1ccc[nH]1
InChIInChI=1S/C12H22N2O/c1-3-10(4-2)12(15)9-13-8-11-6-5-7-14-11/h5-7,10,12-15H,3-4,8-9H2,1-2H3
InChIKeyICHVYNQOLIWGCM-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.90
Rot. Bonds7

About 3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol

3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol (PubChem CID 103578645) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol
PubChem CID103578645
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNCc1ccc[nH]1
InChIInChI=1S/C12H22N2O/c1-3-10(4-2)12(15)9-13-8-11-6-5-7-14-11/h5-7,10,12-15H,3-4,8-9H2,1-2H3
InChIKeyICHVYNQOLIWGCM-UHFFFAOYSA-N
XLogP1.90
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol (CID 103578645) is 3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol is CCC(CC)C(O)CNCc1ccc[nH]1.
What is the InChIKey of 3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol?
The InChIKey is ICHVYNQOLIWGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-10(4-2)12(15)9-13-8-11-6-5-7-14-11/h5-7,10,12-15H,3-4,8-9H2,1-2H3.
What are the key properties of 3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol?
3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 103578645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).