1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine

C15H18N6 — CID 168602362

IUPAC1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(CCc2ccccn2)cc1
InChIInChI=1S/C15H18N6/c16-14(17)21-15(18)20-13-8-5-11(6-9-13)4-7-12-3-1-2-10-19-12/h1-3,5-6,8-10H,4,7H2,(H6,16,17,18,20,21)
InChIKeyUGOYLINRSKBJMW-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.09
Rot. Bonds4

About 1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine

1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine (PubChem CID 168602362) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine
PubChem CID168602362
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(CCc2ccccn2)cc1
InChIInChI=1S/C15H18N6/c16-14(17)21-15(18)20-13-8-5-11(6-9-13)4-7-12-3-1-2-10-19-12/h1-3,5-6,8-10H,4,7H2,(H6,16,17,18,20,21)
InChIKeyUGOYLINRSKBJMW-UHFFFAOYSA-N
XLogP1.09
TPSA115.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine
CID 168602724
4-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 10398308
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
CID 161239172
1-(diaminomethylidene)-2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]guanidine
CID 168604353
2-(7-phenylheptyl)pyridine
CID 54510986
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
CID 657277
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-[2-[4-[2-methoxy-5-(2-pyridin-2-ylethyl)phenoxy]phenyl]ethyl]pyridine
CID 46735356
2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide
CID 88885143
1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
CID 111024696
2-(2-fluoroethyl)pyridine
CID 23246235

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine (CID 168602362) is 1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine is NC(N)=N/C(N)=N/c1ccc(CCc2ccccn2)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine?
The InChIKey is UGOYLINRSKBJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c16-14(17)21-15(18)20-13-8-5-11(6-9-13)4-7-12-3-1-2-10-19-12/h1-3,5-6,8-10H,4,7H2,(H6,16,17,18,20,21).
What are the key properties of 1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine?
1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine has a molecular weight of 282.35 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine is sourced from PubChem (CID 168602362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).