1,3-dicyclohexyl-2-methylguanidine;hydrochloride

C14H28ClN3 — CID 14771735

IUPAC1,3-dicyclohexyl-2-methylguanidine;hydrochloride
SMILESCN=C(NC1CCCCC1)NC1CCCCC1.Cl
InChIInChI=1S/C14H27N3.ClH/c1-15-14(16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13;/h12-13H,2-11H2,1H3,(H2,15,16,17);1H
InChIKeyLCOISJGELHORQF-UHFFFAOYSA-N
MW273.85 g/mol
LogP3.24
Rot. Bonds2

About 1,3-dicyclohexyl-2-methylguanidine;hydrochloride

1,3-dicyclohexyl-2-methylguanidine;hydrochloride (PubChem CID 14771735) has the molecular formula C14H28ClN3 and a molecular weight of 273.85 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-methylguanidine;hydrochloride.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-methylguanidine;hydrochloride
PubChem CID14771735
Molecular FormulaC14H28ClN3
Molecular Weight273.85 g/mol
Exact Mass273.20
IUPAC Name1,3-dicyclohexyl-2-methylguanidine;hydrochloride
SMILESCN=C(NC1CCCCC1)NC1CCCCC1.Cl
InChIInChI=1S/C14H27N3.ClH/c1-15-14(16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13;/h12-13H,2-11H2,1H3,(H2,15,16,17);1H
InChIKeyLCOISJGELHORQF-UHFFFAOYSA-N
XLogP3.24
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-3-cyclopropyl-2-methylguanidine
CID 130625734
1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine
CID 119154163
1-cyclohexyl-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 110958106
N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110934905
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine
CID 119154322
1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
CID 119153758
1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine
CID 95760513
1-cyclohexyl-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 110958480
1-cyclobutyl-2-methyl-3-(3-methylsulfanylcyclohexyl)guanidine
CID 119154206
1-cyclohexyl-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110957530
1-cyclohexyl-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine
CID 110958449
1-[2-(azepan-1-yl)ethyl]-3-cyclopentyl-2-methylguanidine
CID 110990169

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2-methylguanidine;hydrochloride?
The IUPAC name of 1,3-dicyclohexyl-2-methylguanidine;hydrochloride (CID 14771735) is 1,3-dicyclohexyl-2-methylguanidine;hydrochloride.
What is the SMILES notation for 1,3-dicyclohexyl-2-methylguanidine;hydrochloride?
The canonical SMILES for 1,3-dicyclohexyl-2-methylguanidine;hydrochloride is CN=C(NC1CCCCC1)NC1CCCCC1.Cl.
What is the InChIKey of 1,3-dicyclohexyl-2-methylguanidine;hydrochloride?
The InChIKey is LCOISJGELHORQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.ClH/c1-15-14(16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13;/h12-13H,2-11H2,1H3,(H2,15,16,17);1H.
What are the key properties of 1,3-dicyclohexyl-2-methylguanidine;hydrochloride?
1,3-dicyclohexyl-2-methylguanidine;hydrochloride has a molecular weight of 273.85 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-methylguanidine;hydrochloride is sourced from PubChem (CID 14771735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).