6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine

C13H22N4O2 — CID 80782981

IUPAC6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
SMILESCCCCCN(C)c1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O2/c1-4-6-7-10-16(3)13-11(17(18)19)8-9-12(15-13)14-5-2/h8-9H,4-7,10H2,1-3H3,(H,14,15)
InChIKeyDAALORNVRLGZMT-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.05
Rot. Bonds8

About 6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine

6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine (PubChem CID 80782981) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
PubChem CID80782981
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
SMILESCCCCCN(C)c1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O2/c1-4-6-7-10-16(3)13-11(17(18)19)8-9-12(15-13)14-5-2/h8-9H,4-7,10H2,1-3H3,(H,14,15)
InChIKeyDAALORNVRLGZMT-UHFFFAOYSA-N
XLogP3.05
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
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

2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80788368
2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine
CID 80796707
6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
CID 80774376
N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine
CID 43152647
2-N-butan-2-yl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80774148
2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide
CID 80788637
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 80856654
6-N-ethyl-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-3-nitropyridine-2,6-diamine
CID 112667980
2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80761700
N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine
CID 80842189
6-butylsulfanyl-N-ethyl-5-nitropyridin-2-amine
CID 80883977
N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916699

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine (CID 80782981) is 6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine is CCCCCN(C)c1nc(NCC)ccc1[N+](=O)[O-].
What is the InChIKey of 6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine?
The InChIKey is DAALORNVRLGZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-6-7-10-16(3)13-11(17(18)19)8-9-12(15-13)14-5-2/h8-9H,4-7,10H2,1-3H3,(H,14,15).
What are the key properties of 6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine?
6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine has a molecular weight of 266.34 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine is sourced from PubChem (CID 80782981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).