2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine

C12H25N3 — CID 62362498

IUPAC2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
SMILESCC(C)CN(C)/C(N)=N/C1CCCCC1
InChIInChI=1S/C12H25N3/c1-10(2)9-15(3)12(13)14-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyJRDRNGBXYHPVSQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.22
Rot. Bonds3

About 2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine

2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine (PubChem CID 62362498) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
PubChem CID62362498
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
SMILESCC(C)CN(C)/C(N)=N/C1CCCCC1
InChIInChI=1S/C12H25N3/c1-10(2)9-15(3)12(13)14-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyJRDRNGBXYHPVSQ-UHFFFAOYSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.22
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-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine (CID 62362498) is 2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine is CC(C)CN(C)/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine?
The InChIKey is JRDRNGBXYHPVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)9-15(3)12(13)14-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine?
2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine has a molecular weight of 211.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 62362498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).