1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine

C16H26N4 — CID 111256893

IUPAC1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NC1CCC(C)CC1
InChIInChI=1S/C16H26N4/c1-3-17-16(19-12-15-6-4-5-11-18-15)20-14-9-7-13(2)8-10-14/h4-6,11,13-14H,3,7-10,12H2,1-2H3,(H2,17,19,20)
InChIKeyHBSUFSANYWWKSZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.72
Rot. Bonds4

About 1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine

1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 111256893) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine
PubChem CID111256893
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NC1CCC(C)CC1
InChIInChI=1S/C16H26N4/c1-3-17-16(19-12-15-6-4-5-11-18-15)20-14-9-7-13(2)8-10-14/h4-6,11,13-14H,3,7-10,12H2,1-2H3,(H2,17,19,20)
InChIKeyHBSUFSANYWWKSZ-UHFFFAOYSA-N
XLogP2.72
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
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-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 110988442
1-ethyl-3-(4-methylcyclohexyl)-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111256685
1-cyclopropyl-3-ethyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110987663
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 109401890
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
1-ethyl-3-(2-propylcyclopropyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111547404
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255720
1-cyclopentyl-3-ethyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110989574
1-ethyl-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-2-ylmethyl)guanidine
CID 129446400
1-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(4-methylcyclohexyl)guanidine
CID 111256837
1-ethyl-3-(4-methylcyclohexyl)-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111256079
1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylcyclohexyl)guanidine
CID 111832767

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine (CID 111256893) is 1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccccn1)NC1CCC(C)CC1.
What is the InChIKey of 1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is HBSUFSANYWWKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-17-16(19-12-15-6-4-5-11-18-15)20-14-9-7-13(2)8-10-14/h4-6,11,13-14H,3,7-10,12H2,1-2H3,(H2,17,19,20).
What are the key properties of 1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine?
1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 274.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 111256893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).