6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane

C12H15N3O2 — CID 154969076

IUPAC6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane
SMILESCN1CC2(C1)CN(c1ccc([N+](=O)[O-])cc1)C2
InChIInChI=1S/C12H15N3O2/c1-13-6-12(7-13)8-14(9-12)10-2-4-11(5-3-10)15(16)17/h2-5H,6-9H2,1H3
InChIKeyRMMHBBLZYIKZCV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.35
Rot. Bonds2

About 6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane

6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane (PubChem CID 154969076) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane
PubChem CID154969076
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane
SMILESCN1CC2(C1)CN(c1ccc([N+](=O)[O-])cc1)C2
InChIInChI=1S/C12H15N3O2/c1-13-6-12(7-13)8-14(9-12)10-2-4-11(5-3-10)15(16)17/h2-5H,6-9H2,1H3
InChIKeyRMMHBBLZYIKZCV-UHFFFAOYSA-N
XLogP1.35
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenyl)-7-oxa-2-azaspiro[3.5]nonane
CID 118979580
ethane;2-(4-nitrophenyl)-6-piperidin-4-yl-2,6-diazaspiro[3.3]heptane
CID 166143272
5-(4-nitrophenyl)-5-azaspiro[2.5]octane
CID 133480921
2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane
CID 90325892
1-methyl-4-(4-nitrophenyl)piperazine;4-(4-methylpiperazin-1-yl)aniline
CID 69123468
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
(4-methylpiperazin-1-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 58993930
tert-butyl 4-[2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]piperidine-1-carboxylate
CID 166142994
7-(4-nitrophenyl)-2,7-diazaspiro[3.5]nonane;hydrochloride
CID 177197386
(2R,6R)-2,6-dimethyl-4-(4-nitrophenyl)morpholine
CID 7062388
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
1,1-dimethyl-4-(4-nitrophenyl)-1,4-diazepan-1-ium chloride
CID 69429847

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane (CID 154969076) is 6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane is CN1CC2(C1)CN(c1ccc([N+](=O)[O-])cc1)C2.
What is the InChIKey of 6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is RMMHBBLZYIKZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-13-6-12(7-13)8-14(9-12)10-2-4-11(5-3-10)15(16)17/h2-5H,6-9H2,1H3.
What are the key properties of 6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane?
6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 233.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 154969076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).