N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C14H19NO3 — CID 77067632

IUPACN-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCOCC(C)Oc1cccc2c1CCCC2=NO
InChIInChI=1S/C14H19NO3/c1-10(9-17-2)18-14-8-4-5-11-12(14)6-3-7-13(11)15-16/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyYLQKAFAPQQKOBX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.61
Rot. Bonds4

About N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 77067632) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID77067632
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCOCC(C)Oc1cccc2c1CCCC2=NO
InChIInChI=1S/C14H19NO3/c1-10(9-17-2)18-14-8-4-5-11-12(14)6-3-7-13(11)15-16/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyYLQKAFAPQQKOBX-UHFFFAOYSA-N
XLogP2.61
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.61
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

N-[4-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 77020738
1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol
CID 77067604
(NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 65455967
5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455007
N-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 3532765
1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]butan-2-ol
CID 77067742
N-ethyl-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]propanamide
CID 77067637
(NZ)-N-[5-(2-fluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 80696031
N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067678
N-[5-(2-methylsulfonylethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067781
2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide
CID 77067652
N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 77067727

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 77067632) is N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is COCC(C)Oc1cccc2c1CCCC2=NO.
What is the InChIKey of N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is YLQKAFAPQQKOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(9-17-2)18-14-8-4-5-11-12(14)6-3-7-13(11)15-16/h4-5,8,10,16H,3,6-7,9H2,1-2H3.
What are the key properties of N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 249.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 77067632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).