2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride

C9H20ClN5 — CID 176518469

IUPAC2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N(C)C1CCCCC1
InChIInChI=1S/C9H19N5.ClH/c1-14(9(12)13-8(10)11)7-5-3-2-4-6-7;/h7H,2-6H2,1H3,(H5,10,11,12,13);1H
InChIKeyTZKNEKPRISXMLM-UHFFFAOYSA-N
MW233.75 g/mol
LogP0.88
Rot. Bonds1

About 2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride

2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride (PubChem CID 176518469) has the molecular formula C9H20ClN5 and a molecular weight of 233.75 g/mol. Its IUPAC name is 2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride.

Molecular Properties

Compound Name2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride
PubChem CID176518469
Molecular FormulaC9H20ClN5
Molecular Weight233.75 g/mol
Exact Mass233.14
IUPAC Name2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N(C)C1CCCCC1
InChIInChI=1S/C9H19N5.ClH/c1-14(9(12)13-8(10)11)7-5-3-2-4-6-7;/h7H,2-6H2,1H3,(H5,10,11,12,13);1H
InChIKeyTZKNEKPRISXMLM-UHFFFAOYSA-N
XLogP0.88
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.75
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride 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-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride
CID 176518473
2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine
CID 176547026
2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
CID 176525900
N-cyclopentyl-N-methylethanimidamide
CID 63173127
N'-carbamimidoyl-3-(dimethylamino)piperidine-1-carboximidamide
CID 176547017
1-cyclooctyl-1-methylurea
CID 126989312
N-cyclopentyl-N-methylcyclopropanecarboximidamide
CID 63175518
2-carbamimidoyl-1-methoxy-1-methylguanidine
CID 176522466
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176525164
1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine
CID 18769868
1-cycloheptyl-1-methyl-2-phenylguanidine
CID 62364038
N'-carbamimidoyl-3-(dimethylamino)pyrrolidine-1-carboximidamide
CID 176546987

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride?
The IUPAC name of 2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride (CID 176518469) is 2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride.
What is the SMILES notation for 2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride?
The canonical SMILES for 2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride is Cl.[H]/N=C(N)/N=C(\N)N(C)C1CCCCC1.
What is the InChIKey of 2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride?
The InChIKey is TZKNEKPRISXMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5.ClH/c1-14(9(12)13-8(10)11)7-5-3-2-4-6-7;/h7H,2-6H2,1H3,(H5,10,11,12,13);1H.
What are the key properties of 2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride?
2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride has a molecular weight of 233.75 g/mol, XLogP of 0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride is sourced from PubChem (CID 176518469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).