4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol

C12H22N2O — CID 66400659

IUPAC4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCc1ccn(C)c1
InChIInChI=1S/C12H22N2O/c1-10(2)6-12(9-15)13-7-11-4-5-14(3)8-11/h4-5,8,10,12-13,15H,6-7,9H2,1-3H3
InChIKeyZSVHMYXCPQDOJK-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.52
Rot. Bonds6

About 4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol

4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol (PubChem CID 66400659) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol
PubChem CID66400659
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCc1ccn(C)c1
InChIInChI=1S/C12H22N2O/c1-10(2)6-12(9-15)13-7-11-4-5-14(3)8-11/h4-5,8,10,12-13,15H,6-7,9H2,1-3H3
InChIKeyZSVHMYXCPQDOJK-UHFFFAOYSA-N
XLogP1.52
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
(2S)-2-(benzylamino)-4-methylpentan-1-ol
CID 11298719
2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
CID 66399627
4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol
CID 61240678
N-[(1-methylpyrrol-3-yl)methyl]heptan-4-amine
CID 115677495
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine
CID 66398321
3-[(1-methylpyrrol-3-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115867991
N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine
CID 66398785
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115325132
(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103992330
(2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103872075
2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397673

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol (CID 66400659) is 4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol is CC(C)CC(CO)NCc1ccn(C)c1.
What is the InChIKey of 4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol?
The InChIKey is ZSVHMYXCPQDOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)6-12(9-15)13-7-11-4-5-14(3)8-11/h4-5,8,10,12-13,15H,6-7,9H2,1-3H3.
What are the key properties of 4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol?
4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 66400659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).