N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine

C13H17NO — CID 155884374

IUPACN-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine
SMILESCC(Cc1ccc2c(c1)CC=C2)N(C)O
InChIInChI=1S/C13H17NO/c1-10(14(2)15)8-11-6-7-12-4-3-5-13(12)9-11/h3-4,6-7,9-10,15H,5,8H2,1-2H3
InChIKeyGHSSKRJHEOEJNA-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.51
Rot. Bonds3

About N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine

N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine (PubChem CID 155884374) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine
PubChem CID155884374
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC NameN-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine
SMILESCC(Cc1ccc2c(c1)CC=C2)N(C)O
InChIInChI=1S/C13H17NO/c1-10(14(2)15)8-11-6-7-12-4-3-5-13(12)9-11/h3-4,6-7,9-10,15H,5,8H2,1-2H3
InChIKeyGHSSKRJHEOEJNA-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine 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 N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine (CID 155884374) is N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine is CC(Cc1ccc2c(c1)CC=C2)N(C)O.
What is the InChIKey of N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine?
The InChIKey is GHSSKRJHEOEJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(14(2)15)8-11-6-7-12-4-3-5-13(12)9-11/h3-4,6-7,9-10,15H,5,8H2,1-2H3.
What are the key properties of N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine?
N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine has a molecular weight of 203.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 155884374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).