3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol

C11H20N2O — CID 66398795

IUPAC3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol
SMILESCC(CCO)CNCc1ccn(C)c1
InChIInChI=1S/C11H20N2O/c1-10(4-6-14)7-12-8-11-3-5-13(2)9-11/h3,5,9-10,12,14H,4,6-8H2,1-2H3
InChIKeyXPVOILRNCVEPPT-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.13
Rot. Bonds6

About 3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol

3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol (PubChem CID 66398795) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol
PubChem CID66398795
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol
SMILESCC(CCO)CNCc1ccn(C)c1
InChIInChI=1S/C11H20N2O/c1-10(4-6-14)7-12-8-11-3-5-13(2)9-11/h3,5,9-10,12,14H,4,6-8H2,1-2H3
InChIKeyXPVOILRNCVEPPT-UHFFFAOYSA-N
XLogP1.13
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
CID 66399627
2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 106171242
4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
CID 66090620
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115325132
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
4-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzene-1,2-diol
CID 66090122
3-[(1-methylpyrrol-3-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115867991
N-[(1-methylpyrrol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66397712
4-[(4-bromo-3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 103581768
4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 66091379
2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
CID 102610013
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol (CID 66398795) is 3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol is CC(CCO)CNCc1ccn(C)c1.
What is the InChIKey of 3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol?
The InChIKey is XPVOILRNCVEPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(4-6-14)7-12-8-11-3-5-13(2)9-11/h3,5,9-10,12,14H,4,6-8H2,1-2H3.
What are the key properties of 3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol?
3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 66398795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).