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

C13H24N2O — CID 111469432

IUPAC2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol
SMILESCC(C)CCn1cccc1CNC(C)CO
InChIInChI=1S/C13H24N2O/c1-11(2)6-8-15-7-4-5-13(15)9-14-12(3)10-16/h4-5,7,11-12,14,16H,6,8-10H2,1-3H3
InChIKeyCCPLKLYQTGCREV-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.00
Rot. Bonds7

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

2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol (PubChem CID 111469432) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol
PubChem CID111469432
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol
SMILESCC(C)CCn1cccc1CNC(C)CO
InChIInChI=1S/C13H24N2O/c1-11(2)6-8-15-7-4-5-13(15)9-14-12(3)10-16/h4-5,7,11-12,14,16H,6,8-10H2,1-3H3
InChIKeyCCPLKLYQTGCREV-UHFFFAOYSA-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

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Related Compounds

(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 103884133
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
CID 106348680
1-[[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]methyl]cyclopentan-1-ol
CID 111436579
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol
CID 66402617
N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66400804
3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
CID 66411114
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446
(2S)-3-methyl-2-[(1-methylpyrrol-2-yl)methylamino]butan-1-ol
CID 79249305
N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401991
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799
(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81351106
methyl 4-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]butanoate
CID 66403352

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol?
The IUPAC name of 2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol (CID 111469432) is 2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol.
What is the SMILES notation for 2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol?
The canonical SMILES for 2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol is CC(C)CCn1cccc1CNC(C)CO.
What is the InChIKey of 2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol?
The InChIKey is CCPLKLYQTGCREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)6-8-15-7-4-5-13(15)9-14-12(3)10-16/h4-5,7,11-12,14,16H,6,8-10H2,1-3H3.
What are the key properties of 2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol?
2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-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 2-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-1-ol is sourced from PubChem (CID 111469432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).