(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol

C13H24N2O — CID 103884133

IUPAC(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol
SMILESCC(C)CCn1cccc1CNC[C@H](C)O
InChIInChI=1S/C13H24N2O/c1-11(2)6-8-15-7-4-5-13(15)10-14-9-12(3)16/h4-5,7,11-12,14,16H,6,8-10H2,1-3H3/t12-/m0/s1
InChIKeyOHLDKLKZSVFBJU-LBPRGKRZSA-N
MW224.35 g/mol
LogP2.00
Rot. Bonds7

About (2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol

(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol (PubChem CID 103884133) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol
PubChem CID103884133
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol
SMILESCC(C)CCn1cccc1CNC[C@H](C)O
InChIInChI=1S/C13H24N2O/c1-11(2)6-8-15-7-4-5-13(15)10-14-9-12(3)16/h4-5,7,11-12,14,16H,6,8-10H2,1-3H3/t12-/m0/s1
InChIKeyOHLDKLKZSVFBJU-LBPRGKRZSA-N
XLogP2.00
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 3537939
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol
CID 66402617
2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol
CID 111469432
1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol
CID 111436579
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentanenitrile
CID 66402630
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403801
2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 115405916
N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403216
N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402047
2-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-propylacetamide
CID 66401260

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol (CID 103884133) is (2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol is CC(C)CCn1cccc1CNC[C@H](C)O.
What is the InChIKey of (2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol?
The InChIKey is OHLDKLKZSVFBJU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)6-8-15-7-4-5-13(15)10-14-9-12(3)16/h4-5,7,11-12,14,16H,6,8-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol?
(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol has a molecular weight of 224.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 103884133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).