3-amino-2-cyclohexyl-1,1-dimethylguanidine

C9H20N4 — CID 104883392

IUPAC3-amino-2-cyclohexyl-1,1-dimethylguanidine
SMILESCN(C)/C(=N\C1CCCCC1)NN
InChIInChI=1S/C9H20N4/c1-13(2)9(12-10)11-8-6-4-3-5-7-8/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyXKOYHBUSRXUSBX-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.70
Rot. Bonds1

About 3-amino-2-cyclohexyl-1,1-dimethylguanidine

3-amino-2-cyclohexyl-1,1-dimethylguanidine (PubChem CID 104883392) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-1,1-dimethylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-1,1-dimethylguanidine
PubChem CID104883392
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name3-amino-2-cyclohexyl-1,1-dimethylguanidine
SMILESCN(C)/C(=N\C1CCCCC1)NN
InChIInChI=1S/C9H20N4/c1-13(2)9(12-10)11-8-6-4-3-5-7-8/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyXKOYHBUSRXUSBX-UHFFFAOYSA-N
XLogP0.70
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine
CID 104883533
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
CID 104884329
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
CID 104885238
3-amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040
3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
CID 104884499
3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
CID 104887487
3-amino-1-(cyclopentylmethyl)-2-cyclopropyl-1-methylguanidine
CID 104886066
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 104885486
3-amino-2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 104883686
3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine
CID 104883663
3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885884

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexyl-1,1-dimethylguanidine?
The IUPAC name of 3-amino-2-cyclohexyl-1,1-dimethylguanidine (CID 104883392) is 3-amino-2-cyclohexyl-1,1-dimethylguanidine.
What is the SMILES notation for 3-amino-2-cyclohexyl-1,1-dimethylguanidine?
The canonical SMILES for 3-amino-2-cyclohexyl-1,1-dimethylguanidine is CN(C)/C(=N\C1CCCCC1)NN.
What is the InChIKey of 3-amino-2-cyclohexyl-1,1-dimethylguanidine?
The InChIKey is XKOYHBUSRXUSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-13(2)9(12-10)11-8-6-4-3-5-7-8/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-2-cyclohexyl-1,1-dimethylguanidine?
3-amino-2-cyclohexyl-1,1-dimethylguanidine has a molecular weight of 184.29 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-1,1-dimethylguanidine is sourced from PubChem (CID 104883392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).