N-(4-amino-4-iodobutan-2-yl)hydroxylamine

C4H11IN2O — CID 155208243

IUPACN-(4-amino-4-iodobutan-2-yl)hydroxylamine
SMILESCC(CC(N)I)NO
InChIInChI=1S/C4H11IN2O/c1-3(7-8)2-4(5)6/h3-4,7-8H,2,6H2,1H3
InChIKeyPUAGRYCQLCBPAI-UHFFFAOYSA-N
MW230.05 g/mol
LogP0.46
Rot. Bonds3

About N-(4-amino-4-iodobutan-2-yl)hydroxylamine

N-(4-amino-4-iodobutan-2-yl)hydroxylamine (PubChem CID 155208243) has the molecular formula C4H11IN2O and a molecular weight of 230.05 g/mol. Its IUPAC name is N-(4-amino-4-iodobutan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4-amino-4-iodobutan-2-yl)hydroxylamine
PubChem CID155208243
Molecular FormulaC4H11IN2O
Molecular Weight230.05 g/mol
Exact Mass229.99
IUPAC NameN-(4-amino-4-iodobutan-2-yl)hydroxylamine
SMILESCC(CC(N)I)NO
InChIInChI=1S/C4H11IN2O/c1-3(7-8)2-4(5)6/h3-4,7-8H,2,6H2,1H3
InChIKeyPUAGRYCQLCBPAI-UHFFFAOYSA-N
XLogP0.46
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-iodobutan-2-yl)hydroxylamine?
The IUPAC name of N-(4-amino-4-iodobutan-2-yl)hydroxylamine (CID 155208243) is N-(4-amino-4-iodobutan-2-yl)hydroxylamine.
What is the SMILES notation for N-(4-amino-4-iodobutan-2-yl)hydroxylamine?
The canonical SMILES for N-(4-amino-4-iodobutan-2-yl)hydroxylamine is CC(CC(N)I)NO.
What is the InChIKey of N-(4-amino-4-iodobutan-2-yl)hydroxylamine?
The InChIKey is PUAGRYCQLCBPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11IN2O/c1-3(7-8)2-4(5)6/h3-4,7-8H,2,6H2,1H3.
What are the key properties of N-(4-amino-4-iodobutan-2-yl)hydroxylamine?
N-(4-amino-4-iodobutan-2-yl)hydroxylamine has a molecular weight of 230.05 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-iodobutan-2-yl)hydroxylamine is sourced from PubChem (CID 155208243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).