N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine

C15H22N2O — CID 124832377

IUPACN-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine
SMILESCCN1c2ccc(C=NO)cc2[C@@H](C)CC1(C)C
InChIInChI=1S/C15H22N2O/c1-5-17-14-7-6-12(10-16-18)8-13(14)11(2)9-15(17,3)4/h6-8,10-11,18H,5,9H2,1-4H3/t11-/m0/s1
InChIKeyDTLIHYPKLUXTHM-NSHDSACASA-N
MW246.35 g/mol
LogP3.61
Rot. Bonds2

About N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine

N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine (PubChem CID 124832377) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine
PubChem CID124832377
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine
SMILESCCN1c2ccc(C=NO)cc2[C@@H](C)CC1(C)C
InChIInChI=1S/C15H22N2O/c1-5-17-14-7-6-12(10-16-18)8-13(14)11(2)9-15(17,3)4/h6-8,10-11,18H,5,9H2,1-4H3/t11-/m0/s1
InChIKeyDTLIHYPKLUXTHM-NSHDSACASA-N
XLogP3.61
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.61
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

4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline
CID 50860641
1-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-(4-propan-2-ylphenyl)methanimine
CID 124631428
N-[(E)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-nitroaniline
CID 133170348
N-[(Z)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50860149
1-[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 99865717
N-[(Z)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-hydroxybenzamide
CID 133170391
N-[(Z)-[(4R)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 124648953
3-bromo-N-[(E)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170363
N-(5-chloro-2-methoxyphenyl)-1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860675
1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine
CID 50860421
N-[(E)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 50860277
2-chloro-N-[(Z)-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 50860375

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine (CID 124832377) is N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine is CCN1c2ccc(C=NO)cc2[C@@H](C)CC1(C)C.
What is the InChIKey of N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine?
The InChIKey is DTLIHYPKLUXTHM-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-17-14-7-6-12(10-16-18)8-13(14)11(2)9-15(17,3)4/h6-8,10-11,18H,5,9H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine?
N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine has a molecular weight of 246.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methylidene]hydroxylamine is sourced from PubChem (CID 124832377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).