2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine

C11H17N3 — CID 130816032

IUPAC2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine
SMILESCCC1(Nc2ncc(N)cc2C)CC1
InChIInChI=1S/C11H17N3/c1-3-11(4-5-11)14-10-8(2)6-9(12)7-13-10/h6-7H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyBSBIUWKZKGZOEV-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.33
Rot. Bonds3

About 2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine

2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine (PubChem CID 130816032) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine
PubChem CID130816032
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine
SMILESCCC1(Nc2ncc(N)cc2C)CC1
InChIInChI=1S/C11H17N3/c1-3-11(4-5-11)14-10-8(2)6-9(12)7-13-10/h6-7H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyBSBIUWKZKGZOEV-UHFFFAOYSA-N
XLogP2.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine (CID 130816032) is 2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine is CCC1(Nc2ncc(N)cc2C)CC1.
What is the InChIKey of 2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine?
The InChIKey is BSBIUWKZKGZOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-11(4-5-11)14-10-8(2)6-9(12)7-13-10/h6-7H,3-5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine?
2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine has a molecular weight of 191.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylcyclopropyl)-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 130816032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).