5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine

C14H23N3O2 — CID 102913909

IUPAC5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
SMILESCc1cnc(NCC(C(C)C)C(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H23N3O2/c1-9(2)12(10(3)4)8-16-14-13(17(18)19)6-11(5)7-15-14/h6-7,9-10,12H,8H2,1-5H3,(H,15,16)
InChIKeyWPKHSADMMCCPAY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.64
Rot. Bonds6

About 5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine

5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine (PubChem CID 102913909) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
PubChem CID102913909
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
SMILESCc1cnc(NCC(C(C)C)C(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H23N3O2/c1-9(2)12(10(3)4)8-16-14-13(17(18)19)6-11(5)7-15-14/h6-7,9-10,12H,8H2,1-5H3,(H,15,16)
InChIKeyWPKHSADMMCCPAY-UHFFFAOYSA-N
XLogP3.64
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.64
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'}

Analyze 5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 66279622
1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
CID 66279624
5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 79035165
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107269289
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
5-methyl-N-(3-methylsulfinylbutyl)-3-nitropyridin-2-amine
CID 115715841
N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303224
N-(5-bromo-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 113282676
N-benzyl-5-methyl-3-nitropyridin-2-amine
CID 24903143
5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 66278295
N-[(4-ethylphenyl)methyl]-5-methyl-3-nitropyridin-2-amine
CID 103704940

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine?
The IUPAC name of 5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine (CID 102913909) is 5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine is Cc1cnc(NCC(C(C)C)C(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine?
The InChIKey is WPKHSADMMCCPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)12(10(3)4)8-16-14-13(17(18)19)6-11(5)7-15-14/h6-7,9-10,12H,8H2,1-5H3,(H,15,16).
What are the key properties of 5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine?
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 102913909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).