3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine

C14H23N3O2 — CID 81137677

IUPAC3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C)ccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C14H23N3O2/c1-5-8-15-12(10(2)3)9-13-14(17(18)19)7-6-11(4)16-13/h6-7,10,12,15H,5,8-9H2,1-4H3
InChIKeyBWBXUDBOYKHVJO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.86
Rot. Bonds7

About 3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine

3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine (PubChem CID 81137677) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
PubChem CID81137677
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C)ccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C14H23N3O2/c1-5-8-15-12(10(2)3)9-13-14(17(18)19)7-6-11(4)16-13/h6-7,10,12,15H,5,8-9H2,1-4H3
InChIKeyBWBXUDBOYKHVJO-UHFFFAOYSA-N
XLogP2.86
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.86
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

2-(2-bromopropyl)-6-methyl-3-nitropyridine
CID 81137414
2-(2-bromo-3,3-dimethylbutyl)-6-methyl-3-nitropyridine
CID 81137590
6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 81138251
1-(6-methoxy-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
CID 115323472
2-(2-chloro-2-cyclopropylethyl)-6-methyl-3-nitropyridine
CID 81137768
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine
CID 63202183
1-(2-iodo-4-nitrophenyl)-3-methyl-N-propylbutan-2-amine
CID 66094544
N-[2-[(6-methyl-3-nitro-2-pyridinyl)oxy]ethyl]propan-1-amine
CID 81137582
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine
CID 63562255

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine?
The IUPAC name of 3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine (CID 81137677) is 3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine?
The canonical SMILES for 3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine is CCCNC(Cc1nc(C)ccc1[N+](=O)[O-])C(C)C.
What is the InChIKey of 3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine?
The InChIKey is BWBXUDBOYKHVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-8-15-12(10(2)3)9-13-14(17(18)19)7-6-11(4)16-13/h6-7,10,12,15H,5,8-9H2,1-4H3.
What are the key properties of 3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine?
3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine has a molecular weight of 265.36 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methyl-3-nitro-2-pyridinyl)-N-propylbutan-2-amine is sourced from PubChem (CID 81137677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).