N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine

C7H12N2O — CID 152779640

IUPACN-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine
SMILESCN(NO)C1=CCCC=C1
InChIInChI=1S/C7H12N2O/c1-9(8-10)7-5-3-2-4-6-7/h3,5-6,8,10H,2,4H2,1H3
InChIKeyMYRRJDDUSANZOH-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.05
Rot. Bonds2

About N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine

N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine (PubChem CID 152779640) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine.

Molecular Properties

Compound NameN-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine
PubChem CID152779640
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine
SMILESCN(NO)C1=CCCC=C1
InChIInChI=1S/C7H12N2O/c1-9(8-10)7-5-3-2-4-6-7/h3,5-6,8,10H,2,4H2,1H3
InChIKeyMYRRJDDUSANZOH-UHFFFAOYSA-N
XLogP1.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.05
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

2,6-dimethyl-2H-pyridin-1-amine
CID 418615
6-ethyl-2H-pyridin-1-amine
CID 70423643
1-Cyclohexa-1,3-dien-1-yl-1-methylhydrazine
CID 89377633
N-[cyclohexa-1,4-dien-1-yl(methyl)amino]hydroxylamine
CID 89815283
2-Cyclohexa-1,5-dien-1-yl-1,1-dimethylhydrazine
CID 91245505
(2Z)-2-propylidenepyridin-1-amine
CID 144465638
1-[(3Z)-hexa-1,3-dien-2-yl]-1-methylhydrazine
CID 149488619
1-Methyl-1-(3-propa-1,2-dienylcyclohexa-1,5-dien-1-yl)hydrazine
CID 161264347
[Cyclohexa-1,5-dien-1-yl(hydroxy)azaniumyl]-methylazanide
CID 163854229

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine?
The IUPAC name of N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine (CID 152779640) is N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine.
What is the SMILES notation for N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine?
The canonical SMILES for N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine is CN(NO)C1=CCCC=C1.
What is the InChIKey of N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine?
The InChIKey is MYRRJDDUSANZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9(8-10)7-5-3-2-4-6-7/h3,5-6,8,10H,2,4H2,1H3.
What are the key properties of N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine?
N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine has a molecular weight of 140.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexa-1,5-dien-1-yl(methyl)amino]hydroxylamine is sourced from PubChem (CID 152779640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).