N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine

C12H22N2O — CID 82708999

IUPACN-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
SMILESCc1cc(CNOCC(C)C)c(C)n1C
InChIInChI=1S/C12H22N2O/c1-9(2)8-15-13-7-12-6-10(3)14(5)11(12)4/h6,9,13H,7-8H2,1-5H3
InChIKeyOPEIQYGTYOWVDL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.32
Rot. Bonds5

About N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine

N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine (PubChem CID 82708999) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
PubChem CID82708999
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
SMILESCc1cc(CNOCC(C)C)c(C)n1C
InChIInChI=1S/C12H22N2O/c1-9(2)8-15-13-7-12-6-10(3)14(5)11(12)4/h6,9,13H,7-8H2,1-5H3
InChIKeyOPEIQYGTYOWVDL-UHFFFAOYSA-N
XLogP2.32
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The IUPAC name of N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine (CID 82708999) is N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The canonical SMILES for N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine is Cc1cc(CNOCC(C)C)c(C)n1C.
What is the InChIKey of N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
The InChIKey is OPEIQYGTYOWVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)8-15-13-7-12-6-10(3)14(5)11(12)4/h6,9,13H,7-8H2,1-5H3.
What are the key properties of N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine?
N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine has a molecular weight of 210.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine is sourced from PubChem (CID 82708999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).