[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol

C9H16N2O — CID 115229652

IUPAC[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol
SMILESCC(C)(CNCO)c1cc[nH]c1
InChIInChI=1S/C9H16N2O/c1-9(2,6-11-7-12)8-3-4-10-5-8/h3-5,10-12H,6-7H2,1-2H3
InChIKeyIVFCPVJZBDQIPT-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.83
Rot. Bonds4

About [[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol

[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol (PubChem CID 115229652) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is [[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol.

Molecular Properties

Compound Name[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol
PubChem CID115229652
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol
SMILESCC(C)(CNCO)c1cc[nH]c1
InChIInChI=1S/C9H16N2O/c1-9(2,6-11-7-12)8-3-4-10-5-8/h3-5,10-12H,6-7H2,1-2H3
InChIKeyIVFCPVJZBDQIPT-UHFFFAOYSA-N
XLogP0.83
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol
CID 115247180
2,2-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoic acid
CID 115221241
1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine
CID 115133067
methyl 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoate
CID 115233545
2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
CID 115179044
2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187443
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine
CID 115245998
[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
CID 115229593
2-methyl-N-(3-piperazin-1-ylpropyl)-2-(1H-pyrrol-3-yl)propan-1-amine
CID 115230643
3,3-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]-4-oxobutanoic acid
CID 115164919
3-methyl-N-propyl-3-(1H-pyrrol-3-yl)butan-1-amine
CID 79829614
2-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]carbamoyl]butanoic acid
CID 115186116

Frequently Asked Questions

What is the IUPAC name of [[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol?
The IUPAC name of [[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol (CID 115229652) is [[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol.
What is the SMILES notation for [[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol?
The canonical SMILES for [[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol is CC(C)(CNCO)c1cc[nH]c1.
What is the InChIKey of [[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol?
The InChIKey is IVFCPVJZBDQIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2,6-11-7-12)8-3-4-10-5-8/h3-5,10-12H,6-7H2,1-2H3.
What are the key properties of [[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol?
[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol has a molecular weight of 168.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol is sourced from PubChem (CID 115229652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).