2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine

C15H22N6 — CID 161239172

IUPAC2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
SMILESNC(N)=NCCc1ccccn1.NCCc1ccccn1
InChIInChI=1S/C8H12N4.C7H10N2/c9-8(10)12-6-4-7-3-1-2-5-11-7;8-5-4-7-3-1-2-6-9-7/h1-3,5H,4,6H2,(H4,9,10,12);1-3,6H,4-5,8H2
InChIKeyUZTQWIGRSZYWCN-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.48
Rot. Bonds5

About 2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine

2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 161239172) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
PubChem CID161239172
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
SMILESNC(N)=NCCc1ccccn1.NCCc1ccccn1
InChIInChI=1S/C8H12N4.C7H10N2/c9-8(10)12-6-4-7-3-1-2-5-11-7;8-5-4-7-3-1-2-6-9-7/h1-3,5H,4,6H2,(H4,9,10,12);1-3,6H,4-5,8H2
InChIKeyUZTQWIGRSZYWCN-UHFFFAOYSA-N
XLogP0.48
TPSA116.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363919
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024703
1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine
CID 137156933
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
CID 111024696
2-(pyridin-2-ylmethyl)guanidine;sulfuric acid
CID 13371455
methyl N'-(3-pyridin-2-ylpropyl)carbamimidothioate
CID 14126562
dicopper;bis(2-pyridin-2-ylethanamine);diazide;diperchlorate;dihydrate
CID 139056923
2-(2-fluoroethyl)pyridine
CID 23246235
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine (CID 161239172) is 2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine is NC(N)=NCCc1ccccn1.NCCc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is UZTQWIGRSZYWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.C7H10N2/c9-8(10)12-6-4-7-3-1-2-5-11-7;8-5-4-7-3-1-2-6-9-7/h1-3,5H,4,6H2,(H4,9,10,12);1-3,6H,4-5,8H2.
What are the key properties of 2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine?
2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 286.38 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 161239172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).