N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine

C16H22N2O3 — CID 66356741

IUPACN-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine
SMILESCNC1CC(Oc2cccc([N+](=O)[O-])c2)C12CCCCC2
InChIInChI=1S/C16H22N2O3/c1-17-14-11-15(16(14)8-3-2-4-9-16)21-13-7-5-6-12(10-13)18(19)20/h5-7,10,14-15,17H,2-4,8-9,11H2,1H3
InChIKeyVHMSTGVHXJQCKD-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.28
Rot. Bonds4

About N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine

N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine (PubChem CID 66356741) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine
PubChem CID66356741
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine
SMILESCNC1CC(Oc2cccc([N+](=O)[O-])c2)C12CCCCC2
InChIInChI=1S/C16H22N2O3/c1-17-14-11-15(16(14)8-3-2-4-9-16)21-13-7-5-6-12(10-13)18(19)20/h5-7,10,14-15,17H,2-4,8-9,11H2,1H3
InChIKeyVHMSTGVHXJQCKD-UHFFFAOYSA-N
XLogP3.28
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.28
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

3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357529
1-(3-bromo-2,2-dimethylcyclobutyl)oxy-3-nitrobenzene
CID 66346117
3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66359498
3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 82717363
1-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-3-nitrobenzene
CID 66346535
3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 107171641
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66359116
3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359127
N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine
CID 66359517
3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66358000
3-(4-nitrophenoxy)spiro[3.5]nonan-1-ol
CID 66366874
3-(4-chloro-3,5-dimethylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359072

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine?
The IUPAC name of N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine (CID 66356741) is N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine is CNC1CC(Oc2cccc([N+](=O)[O-])c2)C12CCCCC2.
What is the InChIKey of N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine?
The InChIKey is VHMSTGVHXJQCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17-14-11-15(16(14)8-3-2-4-9-16)21-13-7-5-6-12(10-13)18(19)20/h5-7,10,14-15,17H,2-4,8-9,11H2,1H3.
What are the key properties of N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine?
N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine has a molecular weight of 290.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-nitrophenoxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 66356741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).