2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine

C14H25N3 — CID 119120109

IUPAC2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine
SMILESN/C(=N\CC1CC=CCC1)NC1CCCCC1
InChIInChI=1S/C14H25N3/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1,3,12-13H,2,4-11H2,(H3,15,16,17)
InChIKeyLXFAFTDBXBTAIJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.58
Rot. Bonds3

About 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine

2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine (PubChem CID 119120109) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine
PubChem CID119120109
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine
SMILESN/C(=N\CC1CC=CCC1)NC1CCCCC1
InChIInChI=1S/C14H25N3/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1,3,12-13H,2,4-11H2,(H3,15,16,17)
InChIKeyLXFAFTDBXBTAIJ-UHFFFAOYSA-N
XLogP2.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.58
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-cyclohexyl-2-ethylguanidine
CID 18727697
N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine
CID 63478638
1-cyclopropyl-2-[(2-hydroxycyclohexyl)methyl]guanidine
CID 64911289
1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111560078
1-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine
CID 55063969
1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine
CID 106136644
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine
CID 122097518
1-cyclopentyl-2-(thian-2-ylmethyl)guanidine
CID 80599933

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine (CID 119120109) is 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine is N/C(=N\CC1CC=CCC1)NC1CCCCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine?
The InChIKey is LXFAFTDBXBTAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1,3,12-13H,2,4-11H2,(H3,15,16,17).
What are the key properties of 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine?
2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine has a molecular weight of 235.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine is sourced from PubChem (CID 119120109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).