2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine

C14H29N3 — CID 111947389

IUPAC2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine
SMILESCCN/C(=N/CCCC1CCCCC1)N(C)C
InChIInChI=1S/C14H29N3/c1-4-15-14(17(2)3)16-12-8-11-13-9-6-5-7-10-13/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyOTMLBBUZSFYRMB-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.87
Rot. Bonds5

About 2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine

2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine (PubChem CID 111947389) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine
PubChem CID111947389
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine
SMILESCCN/C(=N/CCCC1CCCCC1)N(C)C
InChIInChI=1S/C14H29N3/c1-4-15-14(17(2)3)16-12-8-11-13-9-6-5-7-10-13/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyOTMLBBUZSFYRMB-UHFFFAOYSA-N
XLogP2.87
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.87
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
2-(4-cyclopentylbutyl)-1,3-diethylguanidine
CID 111465882
3-[[N'-(3-cyclopentylpropyl)-N-ethylcarbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111946698
1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
CID 111790884
2-(3-cyclohexylpropyl)-1-ethyl-3-(2-ethylsulfonylethyl)guanidine
CID 111947469
N-[2-[[N'-(3-cyclohexylpropyl)-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111928512
2-(3-cyclohexylpropyl)-1,1-diethylguanidine
CID 111062808
2-(3-cyclopentylpropyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111946828
2-(3-cyclohexylpropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111947612
1-tert-butyl-2-(3-cyclohexylpropyl)guanidine
CID 111062806
4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111947391
2-[[(2-cyclohexylethylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111363873

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine?
The IUPAC name of 2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine (CID 111947389) is 2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine.
What is the SMILES notation for 2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine?
The canonical SMILES for 2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine is CCN/C(=N/CCCC1CCCCC1)N(C)C.
What is the InChIKey of 2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine?
The InChIKey is OTMLBBUZSFYRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-15-14(17(2)3)16-12-8-11-13-9-6-5-7-10-13/h13H,4-12H2,1-3H3,(H,15,16).
What are the key properties of 2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine?
2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine has a molecular weight of 239.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine is sourced from PubChem (CID 111947389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).