N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine

C8H14N2O — CID 131223122

IUPACN-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine
SMILESCC(C)ONCc1cc[nH]c1
InChIInChI=1S/C8H14N2O/c1-7(2)11-10-6-8-3-4-9-5-8/h3-5,7,9-10H,6H2,1-2H3
InChIKeyOOKIOSIZFBQJCR-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds4

About N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine

N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine (PubChem CID 131223122) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine
PubChem CID131223122
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine
SMILESCC(C)ONCc1cc[nH]c1
InChIInChI=1S/C8H14N2O/c1-7(2)11-10-6-8-3-4-9-5-8/h3-5,7,9-10H,6H2,1-2H3
InChIKeyOOKIOSIZFBQJCR-UHFFFAOYSA-N
XLogP1.44
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine?
The IUPAC name of N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine (CID 131223122) is N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine is CC(C)ONCc1cc[nH]c1.
What is the InChIKey of N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine?
The InChIKey is OOKIOSIZFBQJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2)11-10-6-8-3-4-9-5-8/h3-5,7,9-10H,6H2,1-2H3.
What are the key properties of N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine?
N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine has a molecular weight of 154.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 131223122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).