N-(4-chlorobutyl)hydroxylamine

C4H10ClNO — CID 18423993

IUPACN-(4-chlorobutyl)hydroxylamine
SMILESONCCCCCl
InChIInChI=1S/C4H10ClNO/c5-3-1-2-4-6-7/h6-7H,1-4H2
InChIKeyVMOFZCNNOYSXQZ-UHFFFAOYSA-N
MW123.58 g/mol
LogP0.98
Rot. Bonds4

About N-(4-chlorobutyl)hydroxylamine

N-(4-chlorobutyl)hydroxylamine (PubChem CID 18423993) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is N-(4-chlorobutyl)hydroxylamine.

Molecular Properties

Compound NameN-(4-chlorobutyl)hydroxylamine
PubChem CID18423993
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC NameN-(4-chlorobutyl)hydroxylamine
SMILESONCCCCCl
InChIInChI=1S/C4H10ClNO/c5-3-1-2-4-6-7/h6-7H,1-4H2
InChIKeyVMOFZCNNOYSXQZ-UHFFFAOYSA-N
XLogP0.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 18423989
CID 18423989
CID 87177656
CID 87177656

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)hydroxylamine?
The IUPAC name of N-(4-chlorobutyl)hydroxylamine (CID 18423993) is N-(4-chlorobutyl)hydroxylamine.
What is the SMILES notation for N-(4-chlorobutyl)hydroxylamine?
The canonical SMILES for N-(4-chlorobutyl)hydroxylamine is ONCCCCCl.
What is the InChIKey of N-(4-chlorobutyl)hydroxylamine?
The InChIKey is VMOFZCNNOYSXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO/c5-3-1-2-4-6-7/h6-7H,1-4H2.
What are the key properties of N-(4-chlorobutyl)hydroxylamine?
N-(4-chlorobutyl)hydroxylamine has a molecular weight of 123.58 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)hydroxylamine is sourced from PubChem (CID 18423993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).