5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine

C13H21N3O2 — CID 66278295

IUPAC5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
SMILESCc1cnc(NC(C)CCC(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H21N3O2/c1-9(2)5-6-11(4)15-13-12(16(17)18)7-10(3)8-14-13/h7-9,11H,5-6H2,1-4H3,(H,14,15)
InChIKeyDXJSWBYYOLHVDP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.53
Rot. Bonds6

About 5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine

5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine (PubChem CID 66278295) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
PubChem CID66278295
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
SMILESCc1cnc(NC(C)CCC(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H21N3O2/c1-9(2)5-6-11(4)15-13-12(16(17)18)7-10(3)8-14-13/h7-9,11H,5-6H2,1-4H3,(H,14,15)
InChIKeyDXJSWBYYOLHVDP-UHFFFAOYSA-N
XLogP3.53
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.53
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-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 66278519
5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine
CID 66279610
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280485
3-bromo-4-methyl-N-(5-methylhexan-2-yl)-5-nitropyridin-2-amine
CID 104508000
5-bromo-N-(6-methylheptan-2-yl)-3-nitropyridin-2-amine
CID 63463823
N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695
5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine
CID 66278018
(2S)-3-methyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]butanoic acid
CID 120964347
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 66278043
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909
1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 66279622

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine?
The IUPAC name of 5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine (CID 66278295) is 5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine is Cc1cnc(NC(C)CCC(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine?
The InChIKey is DXJSWBYYOLHVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)5-6-11(4)15-13-12(16(17)18)7-10(3)8-14-13/h7-9,11H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine?
5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 66278295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).