1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine

C14H29N3 — CID 111151166

IUPAC1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine
SMILESCCCCN/C(=N\C)NCCC1CCCCC1
InChIInChI=1S/C14H29N3/c1-3-4-11-16-14(15-2)17-12-10-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyCTMMOINTGFMMBZ-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.92
Rot. Bonds6

About 1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine

1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine (PubChem CID 111151166) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine
PubChem CID111151166
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine
SMILESCCCCN/C(=N\C)NCCC1CCCCC1
InChIInChI=1S/C14H29N3/c1-3-4-11-16-14(15-2)17-12-10-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyCTMMOINTGFMMBZ-UHFFFAOYSA-N
XLogP2.92
TPSA36.42 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 ≤ 52.92
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-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide
CID 110919956
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111781367
1-butyl-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine
CID 111151016
1-(3-cyclopentylpropyl)-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111626175
1-(2-tert-butylsulfonylethyl)-3-(3-cyclohexylpropyl)-2-methylguanidine;hydroiodide
CID 111573620
N-butyl-2-(2-cyclohexylethylamino)acetamide
CID 60976119
1-(3-cyclohexylpropyl)-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111947622
N-(2-cyclohexylethyl)butan-1-amine;hydrochloride
CID 57440786
1-(3-cyclopentylpropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111404127
1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide
CID 110944229
4-[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111947474
3-butyl-1,1-dicyclohexyl-2-methylguanidine
CID 89443004

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine?
The IUPAC name of 1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine (CID 111151166) is 1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine.
What is the SMILES notation for 1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine?
The canonical SMILES for 1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine is CCCCN/C(=N\C)NCCC1CCCCC1.
What is the InChIKey of 1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine?
The InChIKey is CTMMOINTGFMMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-4-11-16-14(15-2)17-12-10-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine?
1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine has a molecular weight of 239.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine is sourced from PubChem (CID 111151166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).