3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine

C12H17N3O2 — CID 79363256

IUPAC3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine
SMILESCC1(C)C(Nc2ncccc2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C12H17N3O2/c1-11(2)10(12(11,3)4)14-9-8(15(16)17)6-5-7-13-9/h5-7,10H,1-4H3,(H,13,14)
InChIKeyMNBBZRQGQGKVDS-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.84
Rot. Bonds3

About 3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine

3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine (PubChem CID 79363256) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine
PubChem CID79363256
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine
SMILESCC1(C)C(Nc2ncccc2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C12H17N3O2/c1-11(2)10(12(11,3)4)14-9-8(15(16)17)6-5-7-13-9/h5-7,10H,1-4H3,(H,13,14)
InChIKeyMNBBZRQGQGKVDS-UHFFFAOYSA-N
XLogP2.84
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.84
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

N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
CID 61223122
N-(2-methylcyclopropyl)-3-nitropyridin-2-amine
CID 62396767
2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol
CID 114630093
N-methyl-3-nitropyridin-2-amine
CID 556349
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-nitropyridin-2-amine
CID 11938982
N-tert-butyl-3-nitropyridin-2-amine;ethene
CID 144870417
2-N-(3-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 54904971
5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine
CID 79360124

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine?
The IUPAC name of 3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine (CID 79363256) is 3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine?
The canonical SMILES for 3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine is CC1(C)C(Nc2ncccc2[N+](=O)[O-])C1(C)C.
What is the InChIKey of 3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine?
The InChIKey is MNBBZRQGQGKVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-11(2)10(12(11,3)4)14-9-8(15(16)17)6-5-7-13-9/h5-7,10H,1-4H3,(H,13,14).
What are the key properties of 3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine?
3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine has a molecular weight of 235.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine is sourced from PubChem (CID 79363256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).