N-benzyl-N-propylhydroxylamine

C10H15NO — CID 11052003

IUPACN-benzyl-N-propylhydroxylamine
SMILESCCCN(O)Cc1ccccc1
InChIInChI=1S/C10H15NO/c1-2-8-11(12)9-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKeyWRPNJSSHGKGZCQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.29
Rot. Bonds4

About N-benzyl-N-propylhydroxylamine

N-benzyl-N-propylhydroxylamine (PubChem CID 11052003) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-benzyl-N-propylhydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-propylhydroxylamine
PubChem CID11052003
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-benzyl-N-propylhydroxylamine
SMILESCCCN(O)Cc1ccccc1
InChIInChI=1S/C10H15NO/c1-2-8-11(12)9-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKeyWRPNJSSHGKGZCQ-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
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-benzyl-N-propylhydroxylamine?
The IUPAC name of N-benzyl-N-propylhydroxylamine (CID 11052003) is N-benzyl-N-propylhydroxylamine.
What is the SMILES notation for N-benzyl-N-propylhydroxylamine?
The canonical SMILES for N-benzyl-N-propylhydroxylamine is CCCN(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-propylhydroxylamine?
The InChIKey is WRPNJSSHGKGZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-8-11(12)9-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3.
What are the key properties of N-benzyl-N-propylhydroxylamine?
N-benzyl-N-propylhydroxylamine has a molecular weight of 165.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propylhydroxylamine is sourced from PubChem (CID 11052003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).