N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine

C11H18N4O2 — CID 79176524

IUPACN-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
SMILESCCNCCCNc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C11H18N4O2/c1-3-12-5-4-6-13-11-7-9(2)10(8-14-11)15(16)17/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyKVKCVPXPWHSPRX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.71
Rot. Bonds7

About N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine

N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine (PubChem CID 79176524) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
PubChem CID79176524
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
SMILESCCNCCCNc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C11H18N4O2/c1-3-12-5-4-6-13-11-7-9(2)10(8-14-11)15(16)17/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyKVKCVPXPWHSPRX-UHFFFAOYSA-N
XLogP1.71
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
4-methyl-N-[3-(2-methylphenoxy)propyl]-5-nitropyridin-2-amine
CID 133329317
4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-nitropyridin-2-amine
CID 79176492
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79173434
N-(3-imidazol-1-ylpropyl)-4-methyl-5-nitropyridin-2-amine
CID 79173030
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603
N-(3-ethoxypropyl)-5-methyl-4-nitropyridin-2-amine
CID 83269938
4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine
CID 103761740
3-fluoro-N-[3-[(4-methyl-5-nitro-2-pyridinyl)amino]propyl]benzamide
CID 133339228
2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 79457851

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine (CID 79176524) is N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine is CCNCCCNc1cc(C)c([N+](=O)[O-])cn1.
What is the InChIKey of N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine?
The InChIKey is KVKCVPXPWHSPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-12-5-4-6-13-11-7-9(2)10(8-14-11)15(16)17/h7-8,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine?
N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine has a molecular weight of 238.29 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 79176524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).