6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine

C13H23N5O2 — CID 79816318

IUPAC6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
SMILESCCCN(CC(C)(C)CN)c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C13H23N5O2/c1-4-7-17(9-13(2,3)8-14)11-6-5-10(18(19)20)12(15)16-11/h5-6H,4,7-9,14H2,1-3H3,(H2,15,16)
InChIKeyWYZRBOZZKHNQAS-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.77
Rot. Bonds7

About 6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine

6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine (PubChem CID 79816318) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
PubChem CID79816318
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
SMILESCCCN(CC(C)(C)CN)c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C13H23N5O2/c1-4-7-17(9-13(2,3)8-14)11-6-5-10(18(19)20)12(15)16-11/h5-6H,4,7-9,14H2,1-3H3,(H2,15,16)
InChIKeyWYZRBOZZKHNQAS-UHFFFAOYSA-N
XLogP1.77
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2,2-dimethyl-N'-(4-methyl-3-nitrophenyl)-N'-propylpropane-1,3-diamine
CID 79662040
N'-(4-iodo-2-nitrophenyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661125
1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
CID 79815724
2,2-dimethyl-N'-(4-methyl-3-nitro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 79662279
N'-(4-chloro-5-fluoro-2-nitrophenyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79665675
N'-(5-chloro-2-pyridinyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662113
N'-(2,6-dichloro-4-nitrophenyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 106891844
3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 79826290
2,2-dimethyl-N'-[(2-nitrophenyl)methyl]-N'-propylpropane-1,3-diamine
CID 79667471
2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol
CID 79826901
6-N-propyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,3,6-triamine
CID 79825411
N'-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79665850

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine (CID 79816318) is 6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine is CCCN(CC(C)(C)CN)c1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine?
The InChIKey is WYZRBOZZKHNQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-7-17(9-13(2,3)8-14)11-6-5-10(18(19)20)12(15)16-11/h5-6H,4,7-9,14H2,1-3H3,(H2,15,16).
What are the key properties of 6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine?
6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine has a molecular weight of 281.36 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 79816318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).