6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine

C16H19N3O2 — CID 81140719

IUPAC6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCC(C)(C)c2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12-9-10-14(19(20)21)15(18-12)17-11-16(2,3)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,17,18)
InChIKeyXWCWLWDRZPZZJG-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.69
Rot. Bonds5

About 6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine

6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine (PubChem CID 81140719) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine
PubChem CID81140719
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCC(C)(C)c2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12-9-10-14(19(20)21)15(18-12)17-11-16(2,3)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,17,18)
InChIKeyXWCWLWDRZPZZJG-UHFFFAOYSA-N
XLogP3.69
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.69
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-ethyl-2-methylsulfanylbutyl)-6-methyl-3-nitropyridin-2-amine
CID 103780075
2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 81139120
2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol
CID 81138787
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 81333468
4-methyl-N-(2-methyl-2-phenylpropyl)-3-nitroaniline
CID 63540997
4-methyl-4-[(6-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 81131671
2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid
CID 81131544
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
1-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312206
1-(1,3-dihydroisoindol-2-yl)-4-[(6-methyl-3-nitro-2-pyridinyl)amino]butan-1-one
CID 133388784
6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81137942

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine (CID 81140719) is 6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NCC(C)(C)c2ccccc2)n1.
What is the InChIKey of 6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine?
The InChIKey is XWCWLWDRZPZZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-9-10-14(19(20)21)15(18-12)17-11-16(2,3)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,17,18).
What are the key properties of 6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine?
6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 81140719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).