(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C14H20N2O2 — CID 129395976

IUPAC(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCN(C)CCOc1ccc2c(c1)CCC/C2=N/O
InChIInChI=1S/C14H20N2O2/c1-16(2)8-9-18-12-6-7-13-11(10-12)4-3-5-14(13)15-17/h6-7,10,17H,3-5,8-9H2,1-2H3/b15-14-
InChIKeyCWTJHYMRHZAFLR-PFONDFGASA-N
MW248.33 g/mol
LogP2.14
Rot. Bonds4

About (NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 129395976) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID129395976
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCN(C)CCOc1ccc2c(c1)CCC/C2=N/O
InChIInChI=1S/C14H20N2O2/c1-16(2)8-9-18-12-6-7-13-11(10-12)4-3-5-14(13)15-17/h6-7,10,17H,3-5,8-9H2,1-2H3/b15-14-
InChIKeyCWTJHYMRHZAFLR-PFONDFGASA-N
XLogP2.14
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
(NE)-N-[6-[(4-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10590433
N-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 139781117
(NZ)-N-[5-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684225
2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine
CID 59263142
(NE)-N-[5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135452829
(NZ)-N-[5-(4,4,4-trifluorobutoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684290
1-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxymethyl]cyclopentan-1-ol
CID 107684311
2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one
CID 57439818
N-[5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methyl-4-pyridinyl)furan-2-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136618073
(NE)-N-(6-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 145095374
6-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]-2,2-dimethylhexanenitrile
CID 107684314

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 129395976) is (NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is CN(C)CCOc1ccc2c(c1)CCC/C2=N/O.
What is the InChIKey of (NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is CWTJHYMRHZAFLR-PFONDFGASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(2)8-9-18-12-6-7-13-11(10-12)4-3-5-14(13)15-17/h6-7,10,17H,3-5,8-9H2,1-2H3/b15-14-.
What are the key properties of (NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 248.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 129395976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).