2-(4-aminocyclohexyl)-1,1-dimethylguanidine

C9H20N4 — CID 58655487

IUPAC2-(4-aminocyclohexyl)-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/C1CCC(N)CC1
InChIInChI=1S/C9H20N4/c1-13(2)9(11)12-8-5-3-7(10)4-6-8/h7-8H,3-6,10H2,1-2H3,(H2,11,12)
InChIKeyUKTRLPGJESAPOQ-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.13
Rot. Bonds1

About 2-(4-aminocyclohexyl)-1,1-dimethylguanidine

2-(4-aminocyclohexyl)-1,1-dimethylguanidine (PubChem CID 58655487) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-1,1-dimethylguanidine
PubChem CID58655487
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name2-(4-aminocyclohexyl)-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/C1CCC(N)CC1
InChIInChI=1S/C9H20N4/c1-13(2)9(11)12-8-5-3-7(10)4-6-8/h7-8H,3-6,10H2,1-2H3,(H2,11,12)
InChIKeyUKTRLPGJESAPOQ-UHFFFAOYSA-N
XLogP0.13
TPSA67.64 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 ≤ 50.13
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'}

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Related Compounds

1,2-dicyclopropyl-1-methylguanidine
CID 62359014
2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
CID 62362582
2-cyclopropyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 62360654
2-cyclopropyl-1,1-dipropylguanidine
CID 62359563
2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine
CID 62364792
2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 62363679
2-cyclopropyl-1-methyl-1-(1-methylsulfanylpropan-2-yl)guanidine
CID 112660677
2-cyclopropyl-1-methyl-1-(oxolan-3-yl)guanidine
CID 78967151
2-cyclohexyl-1-ethyl-1-methylguanidine
CID 18727696
methyl N'-cyclopropylcarbamimidothioate;hydroiodide
CID 18622014
2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 62362498
2-cyclohexyl-1-methyl-1-pentan-3-ylguanidine
CID 62362276

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-1,1-dimethylguanidine?
The IUPAC name of 2-(4-aminocyclohexyl)-1,1-dimethylguanidine (CID 58655487) is 2-(4-aminocyclohexyl)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(4-aminocyclohexyl)-1,1-dimethylguanidine?
The canonical SMILES for 2-(4-aminocyclohexyl)-1,1-dimethylguanidine is CN(C)/C(N)=N/C1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-1,1-dimethylguanidine?
The InChIKey is UKTRLPGJESAPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-13(2)9(11)12-8-5-3-7(10)4-6-8/h7-8H,3-6,10H2,1-2H3,(H2,11,12).
What are the key properties of 2-(4-aminocyclohexyl)-1,1-dimethylguanidine?
2-(4-aminocyclohexyl)-1,1-dimethylguanidine has a molecular weight of 184.29 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-1,1-dimethylguanidine is sourced from PubChem (CID 58655487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).