N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine

C17H24N2O — CID 50868475

IUPACN-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
SMILESCCCN1c2cc(C)c(C=NO)cc2C(C)=CC1(C)C
InChIInChI=1S/C17H24N2O/c1-6-7-19-16-8-12(2)14(11-18-20)9-15(16)13(3)10-17(19,4)5/h8-11,20H,6-7H2,1-5H3
InChIKeyKGUOUNSSEXMOND-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.22
Rot. Bonds3

About N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine

N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine (PubChem CID 50868475) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
PubChem CID50868475
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
SMILESCCCN1c2cc(C)c(C=NO)cc2C(C)=CC1(C)C
InChIInChI=1S/C17H24N2O/c1-6-7-19-16-8-12(2)14(11-18-20)9-15(16)13(3)10-17(19,4)5/h8-11,20H,6-7H2,1-5H3
InChIKeyKGUOUNSSEXMOND-UHFFFAOYSA-N
XLogP4.22
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.22
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-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50869755
2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde
CID 50868619
N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869014
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
N-(4-fluoro-3-methylphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868999
N-naphthalen-2-yl-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869022
3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50868976
N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine
CID 50867471
N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868575
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868952
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868677
2-methyl-3-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50869023

Frequently Asked Questions

What is the IUPAC name of N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine (CID 50868475) is N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine is CCCN1c2cc(C)c(C=NO)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine?
The InChIKey is KGUOUNSSEXMOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-6-7-19-16-8-12(2)14(11-18-20)9-15(16)13(3)10-17(19,4)5/h8-11,20H,6-7H2,1-5H3.
What are the key properties of N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine?
N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine has a molecular weight of 272.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine is sourced from PubChem (CID 50868475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).