1-(3-cyclohexylpropyl)-2-propylguanidine

C13H27N3 — CID 111062802

IUPAC1-(3-cyclohexylpropyl)-2-propylguanidine
SMILESCCC/N=C(\N)NCCCC1CCCCC1
InChIInChI=1S/C13H27N3/c1-2-10-15-13(14)16-11-6-9-12-7-4-3-5-8-12/h12H,2-11H2,1H3,(H3,14,15,16)
InChIKeyPEOYNEVLSIQFEN-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds6

About 1-(3-cyclohexylpropyl)-2-propylguanidine

1-(3-cyclohexylpropyl)-2-propylguanidine (PubChem CID 111062802) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-2-propylguanidine
PubChem CID111062802
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(3-cyclohexylpropyl)-2-propylguanidine
SMILESCCC/N=C(\N)NCCCC1CCCCC1
InChIInChI=1S/C13H27N3/c1-2-10-15-13(14)16-11-6-9-12-7-4-3-5-8-12/h12H,2-11H2,1H3,(H3,14,15,16)
InChIKeyPEOYNEVLSIQFEN-UHFFFAOYSA-N
XLogP2.66
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
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

1-(3-cyclopropylpropyl)-2-propylguanidine
CID 115679595
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine
CID 55063814
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274
1-(3-cyclopentylpropyl)-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111062761
1-tert-butyl-2-(3-cyclohexylpropyl)guanidine
CID 111062806
1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060060
2-(3-cyclohexyloxypropyl)-1-hexylguanidine;hydroiodide
CID 111035473
1-butyl-2-[3-[cyclohexyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111057333
1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine
CID 62363523
2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111816691

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropyl)-2-propylguanidine?
The IUPAC name of 1-(3-cyclohexylpropyl)-2-propylguanidine (CID 111062802) is 1-(3-cyclohexylpropyl)-2-propylguanidine.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-2-propylguanidine?
The canonical SMILES for 1-(3-cyclohexylpropyl)-2-propylguanidine is CCC/N=C(\N)NCCCC1CCCCC1.
What is the InChIKey of 1-(3-cyclohexylpropyl)-2-propylguanidine?
The InChIKey is PEOYNEVLSIQFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-2-10-15-13(14)16-11-6-9-12-7-4-3-5-8-12/h12H,2-11H2,1H3,(H3,14,15,16).
What are the key properties of 1-(3-cyclohexylpropyl)-2-propylguanidine?
1-(3-cyclohexylpropyl)-2-propylguanidine has a molecular weight of 225.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropyl)-2-propylguanidine is sourced from PubChem (CID 111062802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).