2-methyl-1-(2-methylcyclohexyl)guanidine

C9H19N3 — CID 62359337

IUPAC2-methyl-1-(2-methylcyclohexyl)guanidine
SMILESC/N=C(\N)NC1CCCCC1C
InChIInChI=1S/C9H19N3/c1-7-5-3-4-6-8(7)12-9(10)11-2/h7-8H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyVGOJJQYKJGVXBO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds1

About 2-methyl-1-(2-methylcyclohexyl)guanidine

2-methyl-1-(2-methylcyclohexyl)guanidine (PubChem CID 62359337) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-1-(2-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methylcyclohexyl)guanidine
PubChem CID62359337
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-methyl-1-(2-methylcyclohexyl)guanidine
SMILESC/N=C(\N)NC1CCCCC1C
InChIInChI=1S/C9H19N3/c1-7-5-3-4-6-8(7)12-9(10)11-2/h7-8H,3-6H2,1-2H3,(H3,10,11,12)
InChIKeyVGOJJQYKJGVXBO-UHFFFAOYSA-N
XLogP1.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-ethylcyclohexyl)-2-methylguanidine
CID 62360103
(2-methylcyclohexyl)urea
CID 3345444
N'-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 124605602
2-methyl-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 4084655
(2-methylcyclopentyl)urea
CID 63281869
4-amino-2-methyl-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
CID 62781647
ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
CID 60895559
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
(1S)-N-[(1S,2R)-2-methylcyclohexyl]cyclohex-3-ene-1-carboxamide
CID 100842555
(1S,6R)-6-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 11894945
N-(2-methylcyclohexyl)azepane-2-carboxamide
CID 64564160
(2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide
CID 124606024

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylcyclohexyl)guanidine?
The IUPAC name of 2-methyl-1-(2-methylcyclohexyl)guanidine (CID 62359337) is 2-methyl-1-(2-methylcyclohexyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-methylcyclohexyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-methylcyclohexyl)guanidine is C/N=C(\N)NC1CCCCC1C.
What is the InChIKey of 2-methyl-1-(2-methylcyclohexyl)guanidine?
The InChIKey is VGOJJQYKJGVXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7-5-3-4-6-8(7)12-9(10)11-2/h7-8H,3-6H2,1-2H3,(H3,10,11,12).
What are the key properties of 2-methyl-1-(2-methylcyclohexyl)guanidine?
2-methyl-1-(2-methylcyclohexyl)guanidine has a molecular weight of 169.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylcyclohexyl)guanidine is sourced from PubChem (CID 62359337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).