2-(3-nitro-4-pyridinyl)pentan-3-amine

C10H15N3O2 — CID 63548618

IUPAC2-(3-nitro-4-pyridinyl)pentan-3-amine
SMILESCCC(N)C(C)c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2/c1-3-9(11)7(2)8-4-5-12-6-10(8)13(14)15/h4-7,9H,3,11H2,1-2H3
InChIKeyLMKCVBRBRASKDZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.83
Rot. Bonds4

About 2-(3-nitro-4-pyridinyl)pentan-3-amine

2-(3-nitro-4-pyridinyl)pentan-3-amine (PubChem CID 63548618) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(3-nitro-4-pyridinyl)pentan-3-amine.

Molecular Properties

Compound Name2-(3-nitro-4-pyridinyl)pentan-3-amine
PubChem CID63548618
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(3-nitro-4-pyridinyl)pentan-3-amine
SMILESCCC(N)C(C)c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2/c1-3-9(11)7(2)8-4-5-12-6-10(8)13(14)15/h4-7,9H,3,11H2,1-2H3
InChIKeyLMKCVBRBRASKDZ-UHFFFAOYSA-N
XLogP1.83
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.83
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

3-(3-nitro-4-pyridinyl)pentan-2-one
CID 63196616
4-methyl-3-(3-nitro-4-pyridinyl)pentan-2-ol
CID 63201464
4-(2-methylpropyl)-3-nitropyridine
CID 165439022
N-(3-ethylpentan-2-yl)-3-nitropyridin-4-amine
CID 63838871
2-(8-nitroisoquinolin-5-yl)pentan-3-ol
CID 55222309
4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine
CID 175510532
2-(3-ethoxy-4-nitrophenyl)pentan-3-amine
CID 63678381
2-(5-nitro-2-pyridinyl)pentan-3-amine
CID 63550334
2-(3-nitro-4-pyridinyl)-3-phenylpropanoic acid
CID 104571521
2-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)pentan-3-amine
CID 63550367
5-(2-bromopentan-3-yl)-8-nitroisoquinoline
CID 55163389
3-nitro-N-pentan-2-ylpyridin-4-amine
CID 43114081

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-4-pyridinyl)pentan-3-amine?
The IUPAC name of 2-(3-nitro-4-pyridinyl)pentan-3-amine (CID 63548618) is 2-(3-nitro-4-pyridinyl)pentan-3-amine.
What is the SMILES notation for 2-(3-nitro-4-pyridinyl)pentan-3-amine?
The canonical SMILES for 2-(3-nitro-4-pyridinyl)pentan-3-amine is CCC(N)C(C)c1ccncc1[N+](=O)[O-].
What is the InChIKey of 2-(3-nitro-4-pyridinyl)pentan-3-amine?
The InChIKey is LMKCVBRBRASKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-9(11)7(2)8-4-5-12-6-10(8)13(14)15/h4-7,9H,3,11H2,1-2H3.
What are the key properties of 2-(3-nitro-4-pyridinyl)pentan-3-amine?
2-(3-nitro-4-pyridinyl)pentan-3-amine has a molecular weight of 209.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-4-pyridinyl)pentan-3-amine is sourced from PubChem (CID 63548618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).