3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine

C13H21N3 — CID 79352829

IUPAC3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC1C(C)(C)C1(C)C
InChIInChI=1S/C13H21N3/c1-8-6-9(14)7-15-10(8)16-11-12(2,3)13(11,4)5/h6-7,11H,14H2,1-5H3,(H,15,16)
InChIKeyRKVIPNPWOBYQLA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.82
Rot. Bonds2

About 3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine

3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine (PubChem CID 79352829) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine
PubChem CID79352829
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC1C(C)(C)C1(C)C
InChIInChI=1S/C13H21N3/c1-8-6-9(14)7-15-10(8)16-11-12(2,3)13(11,4)5/h6-7,11H,14H2,1-5H3,(H,15,16)
InChIKeyRKVIPNPWOBYQLA-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine?
The IUPAC name of 3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine (CID 79352829) is 3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine?
The canonical SMILES for 3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine is Cc1cc(N)cnc1NC1C(C)(C)C1(C)C.
What is the InChIKey of 3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine?
The InChIKey is RKVIPNPWOBYQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-8-6-9(14)7-15-10(8)16-11-12(2,3)13(11,4)5/h6-7,11H,14H2,1-5H3,(H,15,16).
What are the key properties of 3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine?
3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2,5-diamine is sourced from PubChem (CID 79352829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).