1-cyclohexyl-2-octylguanidine

C15H31N3 — CID 113337391

IUPAC1-cyclohexyl-2-octylguanidine
SMILESCCCCCCCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C15H31N3/c1-2-3-4-5-6-10-13-17-15(16)18-14-11-8-7-9-12-14/h14H,2-13H2,1H3,(H3,16,17,18)
InChIKeyVCWDHXYAPJMZST-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.58
Rot. Bonds8

About 1-cyclohexyl-2-octylguanidine

1-cyclohexyl-2-octylguanidine (PubChem CID 113337391) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-octylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-octylguanidine
PubChem CID113337391
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-cyclohexyl-2-octylguanidine
SMILESCCCCCCCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C15H31N3/c1-2-3-4-5-6-10-13-17-15(16)18-14-11-8-7-9-12-14/h14H,2-13H2,1H3,(H3,16,17,18)
InChIKeyVCWDHXYAPJMZST-UHFFFAOYSA-N
XLogP3.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine
CID 111084877
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
1,3-dicyclohexyl-2-octylguanidine;hydrochloride
CID 14771737
1,3-dicyclohexyl-2-pentylguanidine
CID 118030780
1-cyclohexyl-2-(5-methylhexyl)guanidine
CID 79479082
N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide
CID 111079277
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine
CID 110914060

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-octylguanidine?
The IUPAC name of 1-cyclohexyl-2-octylguanidine (CID 113337391) is 1-cyclohexyl-2-octylguanidine.
What is the SMILES notation for 1-cyclohexyl-2-octylguanidine?
The canonical SMILES for 1-cyclohexyl-2-octylguanidine is CCCCCCCC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-octylguanidine?
The InChIKey is VCWDHXYAPJMZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-2-3-4-5-6-10-13-17-15(16)18-14-11-8-7-9-12-14/h14H,2-13H2,1H3,(H3,16,17,18).
What are the key properties of 1-cyclohexyl-2-octylguanidine?
1-cyclohexyl-2-octylguanidine has a molecular weight of 253.43 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-octylguanidine is sourced from PubChem (CID 113337391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).