2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine

C13H21N3O2 — CID 63562255

IUPAC2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C13H21N3O2/c1-4-8-14-11(5-2)10(3)13-12(16(17)18)7-6-9-15-13/h6-7,9-11,14H,4-5,8H2,1-3H3
InChIKeyFVAYAJFXCQJVBM-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.87
Rot. Bonds7

About 2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine

2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine (PubChem CID 63562255) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine
PubChem CID63562255
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C13H21N3O2/c1-4-8-14-11(5-2)10(3)13-12(16(17)18)7-6-9-15-13/h6-7,9-11,14H,4-5,8H2,1-3H3
InChIKeyFVAYAJFXCQJVBM-UHFFFAOYSA-N
XLogP2.87
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.87
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-(5-nitropyrimidin-2-yl)-N-propylpentan-3-amine
CID 55222302
3-(3-nitro-2-pyridinyl)pentan-2-one
CID 63196316
3-(8-nitroquinolin-5-yl)-N-propylbutan-2-amine
CID 63199376
diethyl 2-(3-nitro-2-pyridinyl)propanedioate
CID 13147345
2-(5-fluoro-4-iodo-2-nitrophenyl)-N-propylpentan-3-amine
CID 66102085
N-ethyl-2-(2-nitrophenyl)pentan-3-amine
CID 55221329
N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
CID 55161032
3-(8-nitroquinolin-4-yl)-N-propylbutan-2-amine
CID 83067409
ethyl 2-(3-nitro-2-pyridinyl)-2-sulfanylacetate
CID 139643971
4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
CID 63197530
3-(2-nitrophenyl)-N-propylpentan-2-amine
CID 63200441
N-methyl-2-(8-nitroquinolin-5-yl)pentan-3-amine
CID 63561738

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine?
The IUPAC name of 2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine (CID 63562255) is 2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine is CCCNC(CC)C(C)c1ncccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine?
The InChIKey is FVAYAJFXCQJVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-8-14-11(5-2)10(3)13-12(16(17)18)7-6-9-15-13/h6-7,9-11,14H,4-5,8H2,1-3H3.
What are the key properties of 2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine?
2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine has a molecular weight of 251.33 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine is sourced from PubChem (CID 63562255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).