1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol

C18H32N2O3 — CID 24713455

IUPAC1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol
SMILESCC(C)COCC(O)CN(Cc1cccn1C)CC1CCCO1
InChIInChI=1S/C18H32N2O3/c1-15(2)13-22-14-17(21)11-20(12-18-7-5-9-23-18)10-16-6-4-8-19(16)3/h4,6,8,15,17-18,21H,5,7,9-14H2,1-3H3
InChIKeyLMPQMACHGVNYHJ-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.04
Rot. Bonds10

About 1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol

1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol (PubChem CID 24713455) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol
PubChem CID24713455
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol
SMILESCC(C)COCC(O)CN(Cc1cccn1C)CC1CCCO1
InChIInChI=1S/C18H32N2O3/c1-15(2)13-22-14-17(21)11-20(12-18-7-5-9-23-18)10-16-6-4-8-19(16)3/h4,6,8,15,17-18,21H,5,7,9-14H2,1-3H3
InChIKeyLMPQMACHGVNYHJ-UHFFFAOYSA-N
XLogP2.04
TPSA46.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol (CID 24713455) is 1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol is CC(C)COCC(O)CN(Cc1cccn1C)CC1CCCO1.
What is the InChIKey of 1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol?
The InChIKey is LMPQMACHGVNYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-15(2)13-22-14-17(21)11-20(12-18-7-5-9-23-18)10-16-6-4-8-19(16)3/h4,6,8,15,17-18,21H,5,7,9-14H2,1-3H3.
What are the key properties of 1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol?
1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol has a molecular weight of 324.47 g/mol, XLogP of 2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-[(1-methylpyrrol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 24713455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).