O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine

C9H22N2O — CID 145385311

IUPACO-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine
SMILESCC(C)NCCCC(C)(C)ON
InChIInChI=1S/C9H22N2O/c1-8(2)11-7-5-6-9(3,4)12-10/h8,11H,5-7,10H2,1-4H3
InChIKeyGEPWGQHMJMKOFX-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.43
Rot. Bonds6

About O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine

O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine (PubChem CID 145385311) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine
PubChem CID145385311
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameO-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine
SMILESCC(C)NCCCC(C)(C)ON
InChIInChI=1S/C9H22N2O/c1-8(2)11-7-5-6-9(3,4)12-10/h8,11H,5-7,10H2,1-4H3
InChIKeyGEPWGQHMJMKOFX-UHFFFAOYSA-N
XLogP1.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine?
The IUPAC name of O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine (CID 145385311) is O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine.
What is the SMILES notation for O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine?
The canonical SMILES for O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine is CC(C)NCCCC(C)(C)ON.
What is the InChIKey of O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine?
The InChIKey is GEPWGQHMJMKOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-8(2)11-7-5-6-9(3,4)12-10/h8,11H,5-7,10H2,1-4H3.
What are the key properties of O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine?
O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine has a molecular weight of 174.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-methyl-5-(propan-2-ylamino)pentan-2-yl]hydroxylamine is sourced from PubChem (CID 145385311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).