1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine

C16H31N3 — CID 62363418

IUPAC1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
SMILESCCC1CCC(C/N=C(\N)NC2CCCCC2)CC1
InChIInChI=1S/C16H31N3/c1-2-13-8-10-14(11-9-13)12-18-16(17)19-15-6-4-3-5-7-15/h13-15H,2-12H2,1H3,(H3,17,18,19)
InChIKeyNCZBZOJZGAUKHY-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.44
Rot. Bonds4

About 1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine

1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine (PubChem CID 62363418) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
PubChem CID62363418
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
SMILESCCC1CCC(C/N=C(\N)NC2CCCCC2)CC1
InChIInChI=1S/C16H31N3/c1-2-13-8-10-14(11-9-13)12-18-16(17)19-15-6-4-3-5-7-15/h13-15H,2-12H2,1H3,(H3,17,18,19)
InChIKeyNCZBZOJZGAUKHY-UHFFFAOYSA-N
XLogP3.44
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine
CID 106136644
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-(4-ethylcyclohexyl)-2-(2-methylpropyl)guanidine
CID 62362453
2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine
CID 119120109
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
1-cyclohexyl-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803516
1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111560078
1-cyclohexyl-2-octylguanidine
CID 113337391
1-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine
CID 55063969

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine (CID 62363418) is 1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine is CCC1CCC(C/N=C(\N)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine?
The InChIKey is NCZBZOJZGAUKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-13-8-10-14(11-9-13)12-18-16(17)19-15-6-4-3-5-7-15/h13-15H,2-12H2,1H3,(H3,17,18,19).
What are the key properties of 1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine?
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine has a molecular weight of 265.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 62363418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).