2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine

C12H28N6 — CID 126559950

IUPAC2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine
SMILESCNNC(N/C(N)=N/C1CCC(N)CC1)C(C)C
InChIInChI=1S/C12H28N6/c1-8(2)11(18-15-3)17-12(14)16-10-6-4-9(13)5-7-10/h8-11,15,18H,4-7,13H2,1-3H3,(H3,14,16,17)
InChIKeyXXVFGGVQUBISBI-UHFFFAOYSA-N
MW256.40 g/mol
LogP-0.13
Rot. Bonds5

About 2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine

2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine (PubChem CID 126559950) has the molecular formula C12H28N6 and a molecular weight of 256.40 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine
PubChem CID126559950
Molecular FormulaC12H28N6
Molecular Weight256.40 g/mol
Exact Mass256.24
IUPAC Name2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine
SMILESCNNC(N/C(N)=N/C1CCC(N)CC1)C(C)C
InChIInChI=1S/C12H28N6/c1-8(2)11(18-15-3)17-12(14)16-10-6-4-9(13)5-7-10/h8-11,15,18H,4-7,13H2,1-3H3,(H3,14,16,17)
InChIKeyXXVFGGVQUBISBI-UHFFFAOYSA-N
XLogP-0.13
TPSA100.49 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine?
The IUPAC name of 2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine (CID 126559950) is 2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine.
What is the SMILES notation for 2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine?
The canonical SMILES for 2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine is CNNC(N/C(N)=N/C1CCC(N)CC1)C(C)C.
What is the InChIKey of 2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine?
The InChIKey is XXVFGGVQUBISBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N6/c1-8(2)11(18-15-3)17-12(14)16-10-6-4-9(13)5-7-10/h8-11,15,18H,4-7,13H2,1-3H3,(H3,14,16,17).
What are the key properties of 2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine?
2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine has a molecular weight of 256.40 g/mol, XLogP of -0.13, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-1-[2-methyl-1-(2-methylhydrazinyl)propyl]guanidine is sourced from PubChem (CID 126559950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).