N-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine

C8H18N2O — CID 117126719

IUPACN-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine
SMILESCNOC1CCCN1C(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)10-6-4-5-8(10)11-9-3/h7-9H,4-6H2,1-3H3
InChIKeyUEROWNKSHSVUJC-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.97
Rot. Bonds3

About N-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine

N-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine (PubChem CID 117126719) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine
PubChem CID117126719
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine
SMILESCNOC1CCCN1C(C)C
InChIInChI=1S/C8H18N2O/c1-7(2)10-6-4-5-8(10)11-9-3/h7-9H,4-6H2,1-3H3
InChIKeyUEROWNKSHSVUJC-UHFFFAOYSA-N
XLogP0.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.97
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-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine?
The IUPAC name of N-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine (CID 117126719) is N-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine.
What is the SMILES notation for N-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine?
The canonical SMILES for N-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine is CNOC1CCCN1C(C)C.
What is the InChIKey of N-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine?
The InChIKey is UEROWNKSHSVUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)10-6-4-5-8(10)11-9-3/h7-9H,4-6H2,1-3H3.
What are the key properties of N-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine?
N-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine has a molecular weight of 158.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrrolidin-2-yl)oxymethanamine is sourced from PubChem (CID 117126719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).