N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C14H20N2O — CID 77033810

IUPACN-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCC(C)CCN1CCC(=NO)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-11(2)7-9-16-10-8-13(15-17)12-5-3-4-6-14(12)16/h3-6,11,17H,7-10H2,1-2H3
InChIKeyUMGAYNGUBLHJES-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.12
Rot. Bonds3

About N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 77033810) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID77033810
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESCC(C)CCN1CCC(=NO)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-11(2)7-9-16-10-8-13(15-17)12-5-3-4-6-14(12)16/h3-6,11,17H,7-10H2,1-2H3
InChIKeyUMGAYNGUBLHJES-UHFFFAOYSA-N
XLogP3.12
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033411
3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N,N-dimethylpropanamide
CID 77033749
(NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 115514135
(NZ)-N-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 103410031
(NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 78992106
(NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 107912556
N-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77053058
N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033884
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337205
N-[1-(1-methoxypropan-2-yl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033947
3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114337171

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 77033810) is N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is CC(C)CCN1CCC(=NO)c2ccccc21.
What is the InChIKey of N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is UMGAYNGUBLHJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)7-9-16-10-8-13(15-17)12-5-3-4-6-14(12)16/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 232.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 77033810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).