4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol

C11H20N2O — CID 115686338

IUPAC4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
SMILESCC(C)C(CCO)NCc1cc[nH]c1
InChIInChI=1S/C11H20N2O/c1-9(2)11(4-6-14)13-8-10-3-5-12-7-10/h3,5,7,9,11-14H,4,6,8H2,1-2H3
InChIKeyVIKPNBJLHQYBRO-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.51
Rot. Bonds6

About 4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol

4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol (PubChem CID 115686338) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
PubChem CID115686338
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
SMILESCC(C)C(CCO)NCc1cc[nH]c1
InChIInChI=1S/C11H20N2O/c1-9(2)11(4-6-14)13-8-10-3-5-12-7-10/h3,5,7,9,11-14H,4,6,8H2,1-2H3
InChIKeyVIKPNBJLHQYBRO-UHFFFAOYSA-N
XLogP1.51
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol
CID 134857937
Pyrrole ethanol
CID 22338742
Pyrrol n-Butanol
CID 129888556
3-[(1-Ethylpyrrol-3-yl)methylamino]-2,2-difluoropropan-1-ol
CID 103270586
2,2-Difluoro-3-[(1-propylpyrrol-3-yl)methylamino]propan-1-ol
CID 103527704
2,2-Difluoro-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
CID 104857378
2,2-difluoro-3-(1H-pyrrol-3-ylmethylamino)propan-1-ol
CID 104857419
3-[1H-pyrrol-3-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 115882730
(2S)-2-amino-4-methylpentanoic acid;1H-pyrrole
CID 20609601
N-(1H-pyrrol-3-ylmethyl)propan-2-amine
CID 20806713
2-amino-4-methylpentanoic acid;1H-pyrrole
CID 21983276
2-(1H-pyrrol-3-ylmethylamino)ethanol
CID 57586919

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol (CID 115686338) is 4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol is CC(C)C(CCO)NCc1cc[nH]c1.
What is the InChIKey of 4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol?
The InChIKey is VIKPNBJLHQYBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)11(4-6-14)13-8-10-3-5-12-7-10/h3,5,7,9,11-14H,4,6,8H2,1-2H3.
What are the key properties of 4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol?
4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 115686338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).