N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine

C15H22N2O — CID 87878169

IUPACN-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine
SMILESON(C1CCCNCC1)C1CCc2ccccc21
InChIInChI=1S/C15H22N2O/c18-17(13-5-3-10-16-11-9-13)15-8-7-12-4-1-2-6-14(12)15/h1-2,4,6,13,15-16,18H,3,5,7-11H2
InChIKeyJVZXLLOOJFKISU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.51
Rot. Bonds2

About N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine

N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine (PubChem CID 87878169) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine
PubChem CID87878169
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine
SMILESON(C1CCCNCC1)C1CCc2ccccc21
InChIInChI=1S/C15H22N2O/c18-17(13-5-3-10-16-11-9-13)15-8-7-12-4-1-2-6-14(12)15/h1-2,4,6,13,15-16,18H,3,5,7-11H2
InChIKeyJVZXLLOOJFKISU-UHFFFAOYSA-N
XLogP2.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 119929963
N-(2,3-dihydro-1H-inden-1-yl)-N-propylpyrrolidin-3-amine
CID 55203622
3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol
CID 119931689
2-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride
CID 119931686
4-[(1S)-2,3-dihydro-1H-inden-1-yl]piperidine
CID 92981221
N-methyl-N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43602044
N-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azepan-4-amine
CID 107172050
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
CID 119742625
N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylpiperidine-3-carboxamide
CID 63130111
N-piperidin-4-yl-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119825779
2-[2,3-dihydro-1H-inden-1-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606505
1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine?
The IUPAC name of N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine (CID 87878169) is N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine.
What is the SMILES notation for N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine?
The canonical SMILES for N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine is ON(C1CCCNCC1)C1CCc2ccccc21.
What is the InChIKey of N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine?
The InChIKey is JVZXLLOOJFKISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-17(13-5-3-10-16-11-9-13)15-8-7-12-4-1-2-6-14(12)15/h1-2,4,6,13,15-16,18H,3,5,7-11H2.
What are the key properties of N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine?
N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine has a molecular weight of 246.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N-(2,3-dihydro-1H-inden-1-yl)hydroxylamine is sourced from PubChem (CID 87878169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).