1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine

C12H26N4 — CID 104885055

IUPAC1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine
SMILESCCCC1CCC(N/C(=N/CC)NN)CC1
InChIInChI=1S/C12H26N4/c1-3-5-10-6-8-11(9-7-10)15-12(16-13)14-4-2/h10-11H,3-9,13H2,1-2H3,(H2,14,15,16)
InChIKeyJTQCAZOHTOYXKT-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.77
Rot. Bonds4

About 1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine

1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine (PubChem CID 104885055) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine
PubChem CID104885055
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine
SMILESCCCC1CCC(N/C(=N/CC)NN)CC1
InChIInChI=1S/C12H26N4/c1-3-5-10-6-8-11(9-7-10)15-12(16-13)14-4-2/h10-11H,3-9,13H2,1-2H3,(H2,14,15,16)
InChIKeyJTQCAZOHTOYXKT-UHFFFAOYSA-N
XLogP1.77
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
CID 104887133
1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
CID 104885819
1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
CID 104888658
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-amino-2-ethyl-3-(3-ethylcyclohexyl)guanidine
CID 104886810
1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
CID 106013169
2-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N-methylacetamide
CID 104883713
1-amino-2-ethyl-3-(2-ethylcyclohexyl)guanidine
CID 104885309
1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine
CID 104887817
1-amino-3-cyclopropyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885808
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
2-hydroxyethyl N-(4-propylcyclohexyl)carbamate
CID 79349163

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine?
The IUPAC name of 1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine (CID 104885055) is 1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine.
What is the SMILES notation for 1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine?
The canonical SMILES for 1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine is CCCC1CCC(N/C(=N/CC)NN)CC1.
What is the InChIKey of 1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine?
The InChIKey is JTQCAZOHTOYXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-3-5-10-6-8-11(9-7-10)15-12(16-13)14-4-2/h10-11H,3-9,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine?
1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine has a molecular weight of 226.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine is sourced from PubChem (CID 104885055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).