3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine

C11H17N3O2 — CID 63196346

IUPAC3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine
SMILESCC(C)(C)C(N)Cc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)10(12)6-8-4-5-9(7-13-8)14(15)16/h4-5,7,10H,6,12H2,1-3H3
InChIKeyCQWUBDITYXSISD-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.91
Rot. Bonds3

About 3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine

3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine (PubChem CID 63196346) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine
PubChem CID63196346
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine
SMILESCC(C)(C)C(N)Cc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)10(12)6-8-4-5-9(7-13-8)14(15)16/h4-5,7,10H,6,12H2,1-3H3
InChIKeyCQWUBDITYXSISD-UHFFFAOYSA-N
XLogP1.91
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.91
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

(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine
CID 95028659
2-(2-chloropropyl)-5-nitropyridine
CID 63205077
2-(5-nitro-2-pyridinyl)-1-phenylethanamine
CID 55162185
N-methyl-1-(5-nitro-2-pyridinyl)methanamine
CID 144940815
1-(5-nitro-2-pyridinyl)butan-2-one
CID 63199129
methane;5-nitropyridin-2-amine
CID 174857781
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63198306
3,3-dimethyl-2-(5-nitro-2-pyridinyl)butanoic acid
CID 118156200
(1R)-2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271925
2-(5-nitro-2-pyridinyl)pentan-3-amine
CID 63550334
2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271501

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine (CID 63196346) is 3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine is CC(C)(C)C(N)Cc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine?
The InChIKey is CQWUBDITYXSISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)10(12)6-8-4-5-9(7-13-8)14(15)16/h4-5,7,10H,6,12H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine?
3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine has a molecular weight of 223.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 63196346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).