2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine

C11H24N4 — CID 62358998

IUPAC2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
SMILESCC1CCCC(CN=C(N)N)(N(C)C)C1
InChIInChI=1S/C11H24N4/c1-9-5-4-6-11(7-9,15(2)3)8-14-10(12)13/h9H,4-8H2,1-3H3,(H4,12,13,14)
InChIKeyVUOLADOUNZMGAY-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.77
Rot. Bonds3

About 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine

2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine (PubChem CID 62358998) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
PubChem CID62358998
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
SMILESCC1CCCC(CN=C(N)N)(N(C)C)C1
InChIInChI=1S/C11H24N4/c1-9-5-4-6-11(7-9,15(2)3)8-14-10(12)13/h9H,4-8H2,1-3H3,(H4,12,13,14)
InChIKeyVUOLADOUNZMGAY-UHFFFAOYSA-N
XLogP0.77
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.77
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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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine (CID 62358998) is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine is CC1CCCC(CN=C(N)N)(N(C)C)C1.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine?
The InChIKey is VUOLADOUNZMGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-9-5-4-6-11(7-9,15(2)3)8-14-10(12)13/h9H,4-8H2,1-3H3,(H4,12,13,14).
What are the key properties of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine?
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine has a molecular weight of 212.34 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine is sourced from PubChem (CID 62358998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).