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

C12H23N3 — CID 62364792

IUPAC2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine
SMILESCC1CCCCC1N(C)/C(N)=N/C1CC1
InChIInChI=1S/C12H23N3/c1-9-5-3-4-6-11(9)15(2)12(13)14-10-7-8-10/h9-11H,3-8H2,1-2H3,(H2,13,14)
InChIKeyQQSZBVQSFCNBCC-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.97
Rot. Bonds2

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

2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine (PubChem CID 62364792) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine
PubChem CID62364792
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine
SMILESCC1CCCCC1N(C)/C(N)=N/C1CC1
InChIInChI=1S/C12H23N3/c1-9-5-3-4-6-11(9)15(2)12(13)14-10-7-8-10/h9-11H,3-8H2,1-2H3,(H2,13,14)
InChIKeyQQSZBVQSFCNBCC-UHFFFAOYSA-N
XLogP1.97
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine?
The IUPAC name of 2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine (CID 62364792) is 2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine is CC1CCCCC1N(C)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine?
The InChIKey is QQSZBVQSFCNBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9-5-3-4-6-11(9)15(2)12(13)14-10-7-8-10/h9-11H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine?
2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine has a molecular weight of 209.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine is sourced from PubChem (CID 62364792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).