1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine

C15H30N4 — CID 104886736

IUPAC1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine
SMILESCC1CCC(N/C(=N/C2CCCCC2)NN)CC1C
InChIInChI=1S/C15H30N4/c1-11-8-9-14(10-12(11)2)18-15(19-16)17-13-6-4-3-5-7-13/h11-14H,3-10,16H2,1-2H3,(H2,17,18,19)
InChIKeyZVGHTUJFTFGVBG-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.55
Rot. Bonds2

About 1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine

1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine (PubChem CID 104886736) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine
PubChem CID104886736
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine
SMILESCC1CCC(N/C(=N/C2CCCCC2)NN)CC1C
InChIInChI=1S/C15H30N4/c1-11-8-9-14(10-12(11)2)18-15(19-16)17-13-6-4-3-5-7-13/h11-14H,3-10,16H2,1-2H3,(H2,17,18,19)
InChIKeyZVGHTUJFTFGVBG-UHFFFAOYSA-N
XLogP2.55
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.55
H-Bond Donors ≤ 53
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

[(2-Cyclohexylethylamino)-hydrazinylmethylidene]-dimethylazanium
CID 54490625
2-Cyclohexyl-1-(3,4-dimethylcyclohexyl)guanidine
CID 64743517
1-Amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine
CID 102909078
1-Amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine
CID 104881941
1-Amino-2-methyl-3-(2-methylcyclohexyl)guanidine
CID 104881943
1-Amino-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 104881949
1-Amino-3-(1-cyclohexylethyl)-2-methylguanidine
CID 104881961
1-Amino-3-(cyclohexylmethyl)-2-methylguanidine
CID 104881992
1-Amino-2-methyl-3-(3-methylcyclohexyl)guanidine
CID 104881995
1-Amino-3-(1-cyclohexylpropyl)-2-methylguanidine
CID 104882016
1-Amino-3-(2-cyclohexylethyl)-2-methylguanidine
CID 104882032
1-Amino-2-methyl-3-[(2-methylcyclohexyl)methyl]guanidine
CID 104882054

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine (CID 104886736) is 1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine is CC1CCC(N/C(=N/C2CCCCC2)NN)CC1C.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine?
The InChIKey is ZVGHTUJFTFGVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-11-8-9-14(10-12(11)2)18-15(19-16)17-13-6-4-3-5-7-13/h11-14H,3-10,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine?
1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine has a molecular weight of 266.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-(3,4-dimethylcyclohexyl)guanidine is sourced from PubChem (CID 104886736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).