N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine

C12H22N2O — CID 82720010

IUPACN-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNOC(C)(C)C)c1
InChIInChI=1S/C12H22N2O/c1-5-7-14-8-6-11(10-14)9-13-15-12(2,3)4/h6,8,10,13H,5,7,9H2,1-4H3
InChIKeyOQUBLNPDSPTTSS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.72
Rot. Bonds5

About N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine

N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine (PubChem CID 82720010) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine
PubChem CID82720010
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNOC(C)(C)C)c1
InChIInChI=1S/C12H22N2O/c1-5-7-14-8-6-11(10-14)9-13-15-12(2,3)4/h6,8,10,13H,5,7,9H2,1-4H3
InChIKeyOQUBLNPDSPTTSS-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine (CID 82720010) is N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine is CCCn1ccc(CNOC(C)(C)C)c1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine?
The InChIKey is OQUBLNPDSPTTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-7-14-8-6-11(10-14)9-13-15-12(2,3)4/h6,8,10,13H,5,7,9H2,1-4H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine?
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine has a molecular weight of 210.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine is sourced from PubChem (CID 82720010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).