2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol

C10H18N2O — CID 66408555

IUPAC2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol
SMILESCCC(C)(CO)NCc1cc[nH]c1
InChIInChI=1S/C10H18N2O/c1-3-10(2,8-13)12-7-9-4-5-11-6-9/h4-6,11-13H,3,7-8H2,1-2H3
InChIKeyKKHKMCYFJBGWDF-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.27
Rot. Bonds5

About 2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol

2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol (PubChem CID 66408555) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol
PubChem CID66408555
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol
SMILESCCC(C)(CO)NCc1cc[nH]c1
InChIInChI=1S/C10H18N2O/c1-3-10(2,8-13)12-7-9-4-5-11-6-9/h4-6,11-13H,3,7-8H2,1-2H3
InChIKeyKKHKMCYFJBGWDF-UHFFFAOYSA-N
XLogP1.27
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol?
The IUPAC name of 2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol (CID 66408555) is 2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol?
The canonical SMILES for 2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol is CCC(C)(CO)NCc1cc[nH]c1.
What is the InChIKey of 2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol?
The InChIKey is KKHKMCYFJBGWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-10(2,8-13)12-7-9-4-5-11-6-9/h4-6,11-13H,3,7-8H2,1-2H3.
What are the key properties of 2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol?
2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol is sourced from PubChem (CID 66408555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).