2-cyclohexyl-1-octan-4-ylguanidine

C15H31N3 — CID 106025617

IUPAC2-cyclohexyl-1-octan-4-ylguanidine
SMILESCCCCC(CCC)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C15H31N3/c1-3-5-10-13(9-4-2)17-15(16)18-14-11-7-6-8-12-14/h13-14H,3-12H2,1-2H3,(H3,16,17,18)
InChIKeyOIOZDFNZFHZUQL-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.58
Rot. Bonds7

About 2-cyclohexyl-1-octan-4-ylguanidine

2-cyclohexyl-1-octan-4-ylguanidine (PubChem CID 106025617) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-cyclohexyl-1-octan-4-ylguanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-octan-4-ylguanidine
PubChem CID106025617
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-cyclohexyl-1-octan-4-ylguanidine
SMILESCCCCC(CCC)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C15H31N3/c1-3-5-10-13(9-4-2)17-15(16)18-14-11-7-6-8-12-14/h13-14H,3-12H2,1-2H3,(H3,16,17,18)
InChIKeyOIOZDFNZFHZUQL-UHFFFAOYSA-N
XLogP3.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.58
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'}

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Related Compounds

2-cyclopentyl-1-hexan-3-ylguanidine
CID 62362532
2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine
CID 62362767
2-cyclohexyl-1-(5-methylhexan-2-yl)guanidine
CID 63925710
2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine
CID 62370058
1-cyclopentyl-3-octan-4-ylurea
CID 103729065
N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine
CID 68500912
2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine
CID 62369558
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
2-methyl-1,3-di(octan-4-yl)guanidine
CID 123864753
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695
2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine
CID 65047958

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-octan-4-ylguanidine?
The IUPAC name of 2-cyclohexyl-1-octan-4-ylguanidine (CID 106025617) is 2-cyclohexyl-1-octan-4-ylguanidine.
What is the SMILES notation for 2-cyclohexyl-1-octan-4-ylguanidine?
The canonical SMILES for 2-cyclohexyl-1-octan-4-ylguanidine is CCCCC(CCC)N/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-octan-4-ylguanidine?
The InChIKey is OIOZDFNZFHZUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-5-10-13(9-4-2)17-15(16)18-14-11-7-6-8-12-14/h13-14H,3-12H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-cyclohexyl-1-octan-4-ylguanidine?
2-cyclohexyl-1-octan-4-ylguanidine has a molecular weight of 253.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-octan-4-ylguanidine is sourced from PubChem (CID 106025617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).