4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine

C16H18N2O3 — CID 63691542

IUPAC4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine
SMILESNC1CCC(Oc2ccc([N+](=O)[O-])c3ccccc23)CC1
InChIInChI=1S/C16H18N2O3/c17-11-5-7-12(8-6-11)21-16-10-9-15(18(19)20)13-3-1-2-4-14(13)16/h1-4,9-12H,5-8,17H2
InChIKeyRSZZYIHBTXUAOD-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.40
Rot. Bonds3

About 4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine

4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine (PubChem CID 63691542) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine
PubChem CID63691542
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine
SMILESNC1CCC(Oc2ccc([N+](=O)[O-])c3ccccc23)CC1
InChIInChI=1S/C16H18N2O3/c17-11-5-7-12(8-6-11)21-16-10-9-15(18(19)20)13-3-1-2-4-14(13)16/h1-4,9-12H,5-8,17H2
InChIKeyRSZZYIHBTXUAOD-UHFFFAOYSA-N
XLogP3.40
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol
CID 63690282
4-(4-methylsulfonyl-2-nitrophenoxy)cyclohexan-1-amine
CID 62808316
4-(4-aminocyclohexyl)oxy-3-nitrobenzonitrile
CID 62808322
4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine
CID 63675702
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 76781898
2-(5-nitroisoquinolin-8-yl)oxycyclopentan-1-amine
CID 103142904
ethyl 2-fluoro-2-(4-nitronaphthalen-1-yl)oxyacetate
CID 79356668
(4-nitronaphthalen-1-yl) hydrogen sulfate
CID 19080010
2-(4-nitronaphthalen-1-yl)oxyacetamide
CID 55225970
1-(5-chloropentoxy)-4-nitronaphthalene
CID 63690144
2-(4-aminocyclohexyl)oxyaniline
CID 117095465
4-amino-1-(4-nitronaphthalen-1-yl)pyrrolidin-2-one
CID 168700491

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine?
The IUPAC name of 4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine (CID 63691542) is 4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine.
What is the SMILES notation for 4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine?
The canonical SMILES for 4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine is NC1CCC(Oc2ccc([N+](=O)[O-])c3ccccc23)CC1.
What is the InChIKey of 4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine?
The InChIKey is RSZZYIHBTXUAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-11-5-7-12(8-6-11)21-16-10-9-15(18(19)20)13-3-1-2-4-14(13)16/h1-4,9-12H,5-8,17H2.
What are the key properties of 4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine?
4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine has a molecular weight of 286.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitronaphthalen-1-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 63691542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).