2-(3-cyclohexylpropyl)-1,1-diethylguanidine

C14H29N3 — CID 111062808

IUPAC2-(3-cyclohexylpropyl)-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CCCC1CCCCC1
InChIInChI=1S/C14H29N3/c1-3-17(4-2)14(15)16-12-8-11-13-9-6-5-7-10-13/h13H,3-12H2,1-2H3,(H2,15,16)
InChIKeyKNVQZONWLMTOEF-UHFFFAOYSA-N
MW239.41 g/mol
LogP3.00
Rot. Bonds6

About 2-(3-cyclohexylpropyl)-1,1-diethylguanidine

2-(3-cyclohexylpropyl)-1,1-diethylguanidine (PubChem CID 111062808) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-(3-cyclohexylpropyl)-1,1-diethylguanidine.

Molecular Properties

Compound Name2-(3-cyclohexylpropyl)-1,1-diethylguanidine
PubChem CID111062808
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-(3-cyclohexylpropyl)-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CCCC1CCCCC1
InChIInChI=1S/C14H29N3/c1-3-17(4-2)14(15)16-12-8-11-13-9-6-5-7-10-13/h13H,3-12H2,1-2H3,(H2,15,16)
InChIKeyKNVQZONWLMTOEF-UHFFFAOYSA-N
XLogP3.00
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
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-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111062815
1-tert-butyl-2-(3-cyclohexylpropyl)guanidine
CID 111062806
1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060073
1,1-diethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111057684
2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine
CID 111947389
1,1-diethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111035992
1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059667
N'-(2-cyclohexylethyl)ethanimidamide
CID 63173186
1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111059666
1-(3-cyclohexylpropyl)-2-propylguanidine
CID 111062802
1,1-dicyclohexyl-2-(11-methyldodecyl)guanidine
CID 19826646
N'-(4-cyclopentylbutyl)piperidine-1-carboximidamide
CID 111814768

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylpropyl)-1,1-diethylguanidine?
The IUPAC name of 2-(3-cyclohexylpropyl)-1,1-diethylguanidine (CID 111062808) is 2-(3-cyclohexylpropyl)-1,1-diethylguanidine.
What is the SMILES notation for 2-(3-cyclohexylpropyl)-1,1-diethylguanidine?
The canonical SMILES for 2-(3-cyclohexylpropyl)-1,1-diethylguanidine is CCN(CC)/C(N)=N/CCCC1CCCCC1.
What is the InChIKey of 2-(3-cyclohexylpropyl)-1,1-diethylguanidine?
The InChIKey is KNVQZONWLMTOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-17(4-2)14(15)16-12-8-11-13-9-6-5-7-10-13/h13H,3-12H2,1-2H3,(H2,15,16).
What are the key properties of 2-(3-cyclohexylpropyl)-1,1-diethylguanidine?
2-(3-cyclohexylpropyl)-1,1-diethylguanidine has a molecular weight of 239.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylpropyl)-1,1-diethylguanidine is sourced from PubChem (CID 111062808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).