1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine

C11H22N4 — CID 24838554

IUPAC1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)C1CN(C2CCCCC2)C1
InChIInChI=1S/C11H22N4/c1-14(11(12)13)10-7-15(8-10)9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H3,12,13)
InChIKeyALCIIZSVKKVCHK-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.83
Rot. Bonds2

About 1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine

1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine (PubChem CID 24838554) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine.

Molecular Properties

Compound Name1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine
PubChem CID24838554
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)C1CN(C2CCCCC2)C1
InChIInChI=1S/C11H22N4/c1-14(11(12)13)10-7-15(8-10)9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H3,12,13)
InChIKeyALCIIZSVKKVCHK-UHFFFAOYSA-N
XLogP0.83
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.83
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-(1-cyclohexylazetidin-3-yl)-1-methylguanidine 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

4-Cyclohexylpiperazine-1-carboximidamide
CID 2757997
4-Ethyl-3-pentylpiperazine-1-carboximidamide
CID 20284366
1-Cyclohexyl-1-ethylguanidine
CID 43189381
1-cyclohexyl-2-(N,N-diethylcarbamimidoyl)-1-methylguanidine
CID 53307661
1-cyclohexyl-2-(N,N-diethylcarbamimidoyl)-1-methylguanidine
CID 76005638
1-Cyclohexyl-1-propylguanidine
CID 138105608
2-(1-Aminoethyl)azetidine-1-carboximidamide
CID 142657806
1-Cyclohexyl-1-propan-2-ylguanidine
CID 154230508
3-(Diethylamino)azetidine-1-carboximidamide
CID 156243293
2-(N-cyclohexyl-N-methylcarbamimidoyl)-1,1-diethylguanidine
CID 176524914
1-Cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine
CID 18769868
2-Cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylguanidine
CID 62362087

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine?
The IUPAC name of 1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine (CID 24838554) is 1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine.
What is the SMILES notation for 1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine?
The canonical SMILES for 1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine is [H]/N=C(\N)N(C)C1CN(C2CCCCC2)C1.
What is the InChIKey of 1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine?
The InChIKey is ALCIIZSVKKVCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-14(11(12)13)10-7-15(8-10)9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H3,12,13).
What are the key properties of 1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine?
1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine has a molecular weight of 210.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylazetidin-3-yl)-1-methylguanidine is sourced from PubChem (CID 24838554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).