N-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine

C13H29NO2 — CID 144724391

IUPACN-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine
SMILESCN(O)CC(COC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-12(2,3)8-11(9-14(7)15)10-16-13(4,5)6/h11,15H,8-10H2,1-7H3
InChIKeyHGYALCUYEAUFMN-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.17
Rot. Bonds5

About N-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine

N-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine (PubChem CID 144724391) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine
PubChem CID144724391
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine
SMILESCN(O)CC(COC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-12(2,3)8-11(9-14(7)15)10-16-13(4,5)6/h11,15H,8-10H2,1-7H3
InChIKeyHGYALCUYEAUFMN-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine?
The IUPAC name of N-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine (CID 144724391) is N-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine?
The canonical SMILES for N-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine is CN(O)CC(COC(C)(C)C)CC(C)(C)C.
What is the InChIKey of N-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine?
The InChIKey is HGYALCUYEAUFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-12(2,3)8-11(9-14(7)15)10-16-13(4,5)6/h11,15H,8-10H2,1-7H3.
What are the key properties of N-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine?
N-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine has a molecular weight of 231.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pentyl]-N-methylhydroxylamine is sourced from PubChem (CID 144724391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).