3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide

C15H32IN3 — CID 109482866

IUPAC3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide
SMILESCC/N=C(/NC(C)CCC1CCCCC1)N(C)C.I
InChIInChI=1S/C15H31N3.HI/c1-5-16-15(18(3)4)17-13(2)11-12-14-9-7-6-8-10-14;/h13-14H,5-12H2,1-4H3,(H,16,17);1H
InChIKeyVNVGZHUHWFDHMK-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.88
Rot. Bonds5

About 3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide

3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide (PubChem CID 109482866) has the molecular formula C15H32IN3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide
PubChem CID109482866
Molecular FormulaC15H32IN3
Molecular Weight381.35 g/mol
Exact Mass381.16
IUPAC Name3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide
SMILESCC/N=C(/NC(C)CCC1CCCCC1)N(C)C.I
InChIInChI=1S/C15H31N3.HI/c1-5-16-15(18(3)4)17-13(2)11-12-14-9-7-6-8-10-14;/h13-14H,5-12H2,1-4H3,(H,16,17);1H
InChIKeyVNVGZHUHWFDHMK-UHFFFAOYSA-N
XLogP3.88
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide 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-ethyl-1,1-dimethyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111203341
1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide
CID 109482303
2-[[(4-cyclohexylbutan-2-ylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 109482625
(3R)-3-(4-cyclohexylbutan-2-ylamino)butan-1-ol
CID 103871740
(2S)-2-(4-cyclohexylbutan-2-ylamino)propan-1-ol
CID 103788986
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
3-[4-cyclohexylbutan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 122002482
1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine
CID 109482315
2-(3-cyclohexylpropyl)-3-ethyl-1,1-dimethylguanidine
CID 111947389
N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane
CID 145163045
2-[[(4-cyclohexylbutan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043696
1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 109482386

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide?
The IUPAC name of 3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide (CID 109482866) is 3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide.
What is the SMILES notation for 3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide?
The canonical SMILES for 3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide is CC/N=C(/NC(C)CCC1CCCCC1)N(C)C.I.
What is the InChIKey of 3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide?
The InChIKey is VNVGZHUHWFDHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3.HI/c1-5-16-15(18(3)4)17-13(2)11-12-14-9-7-6-8-10-14;/h13-14H,5-12H2,1-4H3,(H,16,17);1H.
What are the key properties of 3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide?
3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide has a molecular weight of 381.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylbutan-2-yl)-2-ethyl-1,1-dimethylguanidine;hydroiodide is sourced from PubChem (CID 109482866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).