2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine

C14H24N4O2 — CID 79662279

IUPAC2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)c1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H24N4O2/c1-5-8-17(10-14(3,4)9-15)13-12(18(19)20)11(2)6-7-16-13/h6-7H,5,8-10,15H2,1-4H3
InChIKeyGNCGAAAUYLRQPE-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.50
Rot. Bonds7

About 2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine

2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine (PubChem CID 79662279) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine
PubChem CID79662279
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)c1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H24N4O2/c1-5-8-17(10-14(3,4)9-15)13-12(18(19)20)11(2)6-7-16-13/h6-7H,5,8-10,15H2,1-4H3
InChIKeyGNCGAAAUYLRQPE-UHFFFAOYSA-N
XLogP2.50
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine (CID 79662279) is 2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)c1nccc(C)c1[N+](=O)[O-].
What is the InChIKey of 2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine?
The InChIKey is GNCGAAAUYLRQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-8-17(10-14(3,4)9-15)13-12(18(19)20)11(2)6-7-16-13/h6-7H,5,8-10,15H2,1-4H3.
What are the key properties of 2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine?
2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine has a molecular weight of 280.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79662279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).