1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine

C16H34N4 — CID 110958151

IUPAC1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(C)(C)CN(C)C)NC1CCCCC1
InChIInChI=1S/C16H34N4/c1-6-17-15(19-14-10-8-7-9-11-14)18-12-16(2,3)13-20(4)5/h14H,6-13H2,1-5H3,(H2,17,18,19)
InChIKeySIWUHWCYXAYRDW-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.46
Rot. Bonds6

About 1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine

1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine (PubChem CID 110958151) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine
PubChem CID110958151
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(C)(C)CN(C)C)NC1CCCCC1
InChIInChI=1S/C16H34N4/c1-6-17-15(19-14-10-8-7-9-11-14)18-12-16(2,3)13-20(4)5/h14H,6-13H2,1-5H3,(H2,17,18,19)
InChIKeySIWUHWCYXAYRDW-UHFFFAOYSA-N
XLogP2.46
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256298
1-cyclohexyl-2-(2,2-dimethyl-4-methylsulfonylbutyl)-3-ethylguanidine
CID 111634716
1-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine
CID 110986460
1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604591
1-cyclopropyl-3-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 110988858
1-cyclopentyl-2-(2,2-diethyl-4-hydroxybutyl)-3-ethylguanidine
CID 111789769
1-butyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine;hydroiodide
CID 111149385
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611158
1-cyclopentyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine
CID 110992479
2-(2-tert-butylsulfonylethyl)-1-cyclohexyl-3-ethylguanidine;hydroiodide
CID 111573490
1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
CID 111790884

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine?
The IUPAC name of 1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine (CID 110958151) is 1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine.
What is the SMILES notation for 1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine?
The canonical SMILES for 1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine is CCN/C(=N\CC(C)(C)CN(C)C)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine?
The InChIKey is SIWUHWCYXAYRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-6-17-15(19-14-10-8-7-9-11-14)18-12-16(2,3)13-20(4)5/h14H,6-13H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine?
1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine has a molecular weight of 282.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine is sourced from PubChem (CID 110958151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).