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

C11H17N3O2 — CID 63197530

IUPAC4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
SMILESCC(C)C(c1ncccc1[N+](=O)[O-])C(C)N
InChIInChI=1S/C11H17N3O2/c1-7(2)10(8(3)12)11-9(14(15)16)5-4-6-13-11/h4-8,10H,12H2,1-3H3
InChIKeyXZJVGYJXPCYMRV-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.08
Rot. Bonds4

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

4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine (PubChem CID 63197530) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
PubChem CID63197530
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
SMILESCC(C)C(c1ncccc1[N+](=O)[O-])C(C)N
InChIInChI=1S/C11H17N3O2/c1-7(2)10(8(3)12)11-9(14(15)16)5-4-6-13-11/h4-8,10H,12H2,1-3H3
InChIKeyXZJVGYJXPCYMRV-UHFFFAOYSA-N
XLogP2.08
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.08
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,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
CID 55161032
(3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile
CID 55262389
diethyl 2-(3-nitro-2-pyridinyl)propanedioate
CID 13147345
ethyl 2-(3-nitro-2-pyridinyl)-2-sulfanylacetate
CID 139643971
3-(3-nitro-2-pyridinyl)pentan-2-one
CID 63196316
8-(3-methylbutan-2-ylsulfanyl)-5-nitroquinoline
CID 133428141
2,3-dinitropyridine;hydrazine
CID 175406944
2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine
CID 63562255
3-methyl-1-(3-nitro-2-pyridinyl)butan-2-ol
CID 63200954
CID 19910057
CID 19910057
ethyl (2S)-2-[(3-nitro-2-pyridinyl)oxy]propanoate
CID 40547203
(3-nitro-2-pyridinyl)hydrazine
CID 3578935

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine?
The IUPAC name of 4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine (CID 63197530) is 4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine?
The canonical SMILES for 4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine is CC(C)C(c1ncccc1[N+](=O)[O-])C(C)N.
What is the InChIKey of 4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine?
The InChIKey is XZJVGYJXPCYMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)10(8(3)12)11-9(14(15)16)5-4-6-13-11/h4-8,10H,12H2,1-3H3.
What are the key properties of 4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine?
4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine has a molecular weight of 223.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine is sourced from PubChem (CID 63197530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).