N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine

C9H19NO2 — CID 88982031

IUPACN-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine
SMILESC=C(COC(C)(C)CCC)NO
InChIInChI=1S/C9H19NO2/c1-5-6-9(3,4)12-7-8(2)10-11/h10-11H,2,5-7H2,1,3-4H3
InChIKeyDCFAFFJTOLCAAK-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.07
Rot. Bonds6

About N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine

N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine (PubChem CID 88982031) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine
PubChem CID88982031
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine
SMILESC=C(COC(C)(C)CCC)NO
InChIInChI=1S/C9H19NO2/c1-5-6-9(3,4)12-7-8(2)10-11/h10-11H,2,5-7H2,1,3-4H3
InChIKeyDCFAFFJTOLCAAK-UHFFFAOYSA-N
XLogP2.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2-methylpentan-2-yloxy)prop-1-en-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

Related Compounds

2,3,3-trimethyl-4-(2-methylpentan-2-yloxy)but-1-ene
CID 123757864
(3Z)-2-methyl-5-(2-methylpentan-2-yloxymethyl)hexa-1,3,5-triene
CID 144864848
2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate
CID 141354214
N-methyl-2-(2-methylpentan-2-yloxy)ethanamine
CID 144977046
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
2-methyl-2-(2-methylpentan-2-ylperoxy)pentane
CID 10910592
N-methyl-2-[2-(2-methylpentan-2-yloxy)ethoxy]acetamide
CID 166730060
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
2-methyl-2-(2-methylbutoxy)pentane
CID 143988658
2-(difluoromethoxy)-2-methylpentane
CID 170269206
2-methyl-2-propoxyhexane
CID 91043348
CID 19591301
CID 19591301

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine?
The IUPAC name of N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine (CID 88982031) is N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine.
What is the SMILES notation for N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine?
The canonical SMILES for N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine is C=C(COC(C)(C)CCC)NO.
What is the InChIKey of N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine?
The InChIKey is DCFAFFJTOLCAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-6-9(3,4)12-7-8(2)10-11/h10-11H,2,5-7H2,1,3-4H3.
What are the key properties of N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine?
N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine has a molecular weight of 173.26 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpentan-2-yloxy)prop-1-en-2-yl]hydroxylamine is sourced from PubChem (CID 88982031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).