2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol

C12H22N2O — CID 66443446

IUPAC2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
SMILESCCCn1cccc1CNCC(C)CO
InChIInChI=1S/C12H22N2O/c1-3-6-14-7-4-5-12(14)9-13-8-11(2)10-15/h4-5,7,11,13,15H,3,6,8-10H2,1-2H3
InChIKeyOAHYEUDDTYBRQP-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.62
Rot. Bonds7

About 2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol

2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol (PubChem CID 66443446) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
PubChem CID66443446
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
SMILESCCCn1cccc1CNCC(C)CO
InChIInChI=1S/C12H22N2O/c1-3-6-14-7-4-5-12(14)9-13-8-11(2)10-15/h4-5,7,11,13,15H,3,6,8-10H2,1-2H3
InChIKeyOAHYEUDDTYBRQP-UHFFFAOYSA-N
XLogP1.62
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 115405916
2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine
CID 66412673
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol
CID 66402617
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
CID 106348680
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
CID 66411114
(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 103884133
3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol
CID 66443840
2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol
CID 66413467
2-(hydroxymethyl)-2-[(1-propylpyrrol-2-yl)methylamino]propane-1,3-diol
CID 114008971
1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66413651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol (CID 66443446) is 2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol is CCCn1cccc1CNCC(C)CO.
What is the InChIKey of 2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol?
The InChIKey is OAHYEUDDTYBRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-6-14-7-4-5-12(14)9-13-8-11(2)10-15/h4-5,7,11,13,15H,3,6,8-10H2,1-2H3.
What are the key properties of 2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol?
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 66443446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).