1-cyclohexyl-2-(5-methylhexyl)guanidine

C14H29N3 — CID 79479082

IUPAC1-cyclohexyl-2-(5-methylhexyl)guanidine
SMILESCC(C)CCCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C14H29N3/c1-12(2)8-6-7-11-16-14(15)17-13-9-4-3-5-10-13/h12-13H,3-11H2,1-2H3,(H3,15,16,17)
InChIKeyJGOBSJZUYXJZAT-UHFFFAOYSA-N
MW239.41 g/mol
LogP3.05
Rot. Bonds6

About 1-cyclohexyl-2-(5-methylhexyl)guanidine

1-cyclohexyl-2-(5-methylhexyl)guanidine (PubChem CID 79479082) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-(5-methylhexyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(5-methylhexyl)guanidine
PubChem CID79479082
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-cyclohexyl-2-(5-methylhexyl)guanidine
SMILESCC(C)CCCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C14H29N3/c1-12(2)8-6-7-11-16-14(15)17-13-9-4-3-5-10-13/h12-13H,3-11H2,1-2H3,(H3,15,16,17)
InChIKeyJGOBSJZUYXJZAT-UHFFFAOYSA-N
XLogP3.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(5-methylhexyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(5-methylhexyl)guanidine (CID 79479082) is 1-cyclohexyl-2-(5-methylhexyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(5-methylhexyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(5-methylhexyl)guanidine is CC(C)CCCC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(5-methylhexyl)guanidine?
The InChIKey is JGOBSJZUYXJZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(2)8-6-7-11-16-14(15)17-13-9-4-3-5-10-13/h12-13H,3-11H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-cyclohexyl-2-(5-methylhexyl)guanidine?
1-cyclohexyl-2-(5-methylhexyl)guanidine has a molecular weight of 239.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(5-methylhexyl)guanidine is sourced from PubChem (CID 79479082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).