3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine

C15H23N3O2 — CID 126484859

IUPAC3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine
SMILESCC1(C)CC(c2nccc(N)c2[N+](=O)[O-])CC(C)(C)C1
InChIInChI=1S/C15H23N3O2/c1-14(2)7-10(8-15(3,4)9-14)12-13(18(19)20)11(16)5-6-17-12/h5-6,10H,7-9H2,1-4H3,(H2,16,17)
InChIKeyMWSKKQJBLZURAN-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.89
Rot. Bonds2

About 3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine

3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine (PubChem CID 126484859) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine.

Molecular Properties

Compound Name3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine
PubChem CID126484859
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine
SMILESCC1(C)CC(c2nccc(N)c2[N+](=O)[O-])CC(C)(C)C1
InChIInChI=1S/C15H23N3O2/c1-14(2)7-10(8-15(3,4)9-14)12-13(18(19)20)11(16)5-6-17-12/h5-6,10H,7-9H2,1-4H3,(H2,16,17)
InChIKeyMWSKKQJBLZURAN-UHFFFAOYSA-N
XLogP3.89
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.89
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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine?
The IUPAC name of 3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine (CID 126484859) is 3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine.
What is the SMILES notation for 3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine?
The canonical SMILES for 3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine is CC1(C)CC(c2nccc(N)c2[N+](=O)[O-])CC(C)(C)C1.
What is the InChIKey of 3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine?
The InChIKey is MWSKKQJBLZURAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2)7-10(8-15(3,4)9-14)12-13(18(19)20)11(16)5-6-17-12/h5-6,10H,7-9H2,1-4H3,(H2,16,17).
What are the key properties of 3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine?
3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-(3,3,5,5-tetramethylcyclohexyl)pyridin-4-amine is sourced from PubChem (CID 126484859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).