1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine

C12H19N3O2 — CID 103186135

IUPAC1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine
SMILESCCC(N)CCc1ncc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C12H19N3O2/c1-4-10(13)5-6-11-9(3)12(15(16)17)8(2)7-14-11/h7,10H,4-6,13H2,1-3H3
InChIKeyZQTKNVXJLVAKAA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.28
Rot. Bonds5

About 1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine

1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine (PubChem CID 103186135) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine
PubChem CID103186135
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine
SMILESCCC(N)CCc1ncc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C12H19N3O2/c1-4-10(13)5-6-11-9(3)12(15(16)17)8(2)7-14-11/h7,10H,4-6,13H2,1-3H3
InChIKeyZQTKNVXJLVAKAA-UHFFFAOYSA-N
XLogP2.28
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.28
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

1-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylpentan-3-amine
CID 103186145
2-(3-chlorobutyl)-3,5-dimethyl-4-nitropyridine
CID 103182406
1-(3,5-dimethyl-4-nitro-2-pyridinyl)-4-methylpentan-3-ol
CID 103182326
4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine
CID 103186137
3-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]pentan-2-ol
CID 103182311
1-(3,5-dimethyl-4-nitro-2-pyridinyl)-3-phenylpropan-2-amine
CID 103184744
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-3-methylpentan-2-amine
CID 103185579
2-(chloromethyl)-3,5-dimethyl-4-nitropyridine;hydrate;hydrochloride
CID 141317816
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]azetidin-3-amine
CID 103186311
2-(3,5-dimethyl-4-nitro-2-pyridinyl)acetic acid
CID 103185934
2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-2-methylbutan-1-amine
CID 103184830
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-3-methylbutan-1-amine
CID 103185432

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine?
The IUPAC name of 1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine (CID 103186135) is 1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine.
What is the SMILES notation for 1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine?
The canonical SMILES for 1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine is CCC(N)CCc1ncc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of 1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine?
The InChIKey is ZQTKNVXJLVAKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-10(13)5-6-11-9(3)12(15(16)17)8(2)7-14-11/h7,10H,4-6,13H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine?
1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine has a molecular weight of 237.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine is sourced from PubChem (CID 103186135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).