3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine

C13H20N4O2 — CID 80849081

IUPAC3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine
SMILESCC1(C)C(CNc2nc(N)ccc2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C13H20N4O2/c1-12(2)9(13(12,3)4)7-15-11-8(17(18)19)5-6-10(14)16-11/h5-6,9H,7H2,1-4H3,(H3,14,15,16)
InChIKeyKHILZVPWVUZBMP-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.67
Rot. Bonds4

About 3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine

3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine (PubChem CID 80849081) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine
PubChem CID80849081
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine
SMILESCC1(C)C(CNc2nc(N)ccc2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C13H20N4O2/c1-12(2)9(13(12,3)4)7-15-11-8(17(18)19)5-6-10(14)16-11/h5-6,9H,7H2,1-4H3,(H3,14,15,16)
InChIKeyKHILZVPWVUZBMP-UHFFFAOYSA-N
XLogP2.67
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
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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Related Compounds

3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80786425
3-nitro-2-N-(thian-2-ylmethyl)pyridine-2,6-diamine
CID 80852430
4-nitro-1-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,3-diamine
CID 106749442
2-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridine-2,6-diamine
CID 102908827
2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106332163
3-[[(6-amino-3-nitro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 80842997
3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 80841044
3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 80850691
2-N-(2-butoxyethyl)-3-nitropyridine-2,6-diamine
CID 80819270
3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82946841
2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 80792164
2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-nitropyridine-2,6-diamine
CID 114181114

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine (CID 80849081) is 3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine is CC1(C)C(CNc2nc(N)ccc2[N+](=O)[O-])C1(C)C.
What is the InChIKey of 3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine?
The InChIKey is KHILZVPWVUZBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-12(2)9(13(12,3)4)7-15-11-8(17(18)19)5-6-10(14)16-11/h5-6,9H,7H2,1-4H3,(H3,14,15,16).
What are the key properties of 3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine?
3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 80849081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).