N-[(2R)-3-methylbutan-2-yl]hydroxylamine

C5H13NO — CID 123857434

IUPACN-[(2R)-3-methylbutan-2-yl]hydroxylamine
SMILESCC(C)[C@@H](C)NO
InChIInChI=1S/C5H13NO/c1-4(2)5(3)6-7/h4-7H,1-3H3/t5-/m1/s1
InChIKeyYPORECDPLSEMDE-RXMQYKEDSA-N
MW103.17 g/mol
LogP1.01
Rot. Bonds2

About N-[(2R)-3-methylbutan-2-yl]hydroxylamine

N-[(2R)-3-methylbutan-2-yl]hydroxylamine (PubChem CID 123857434) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]hydroxylamine
PubChem CID123857434
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC NameN-[(2R)-3-methylbutan-2-yl]hydroxylamine
SMILESCC(C)[C@@H](C)NO
InChIInChI=1S/C5H13NO/c1-4(2)5(3)6-7/h4-7H,1-3H3/t5-/m1/s1
InChIKeyYPORECDPLSEMDE-RXMQYKEDSA-N
XLogP1.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 51.01
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-[(2R)-3-methylbutan-2-yl]hydroxylamine?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]hydroxylamine (CID 123857434) is N-[(2R)-3-methylbutan-2-yl]hydroxylamine.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]hydroxylamine?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]hydroxylamine is CC(C)[C@@H](C)NO.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]hydroxylamine?
The InChIKey is YPORECDPLSEMDE-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13NO/c1-4(2)5(3)6-7/h4-7H,1-3H3/t5-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]hydroxylamine?
N-[(2R)-3-methylbutan-2-yl]hydroxylamine has a molecular weight of 103.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]hydroxylamine is sourced from PubChem (CID 123857434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).