1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine

C13H28N4 — CID 62368756

IUPAC1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine
SMILESCN(C)C(C)(C)C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C13H28N4/c1-13(2,17(3)4)10-15-12(14)16-11-8-6-5-7-9-11/h11H,5-10H2,1-4H3,(H3,14,15,16)
InChIKeyCQPPDOIQUDLGEV-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.56
Rot. Bonds4

About 1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine

1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine (PubChem CID 62368756) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine
PubChem CID62368756
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine
SMILESCN(C)C(C)(C)C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C13H28N4/c1-13(2,17(3)4)10-15-12(14)16-11-8-6-5-7-9-11/h11H,5-10H2,1-4H3,(H3,14,15,16)
InChIKeyCQPPDOIQUDLGEV-UHFFFAOYSA-N
XLogP1.56
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.56
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 1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine (CID 62368756) is 1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine is CN(C)C(C)(C)C/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine?
The InChIKey is CQPPDOIQUDLGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-13(2,17(3)4)10-15-12(14)16-11-8-6-5-7-9-11/h11H,5-10H2,1-4H3,(H3,14,15,16).
What are the key properties of 1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine?
1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine has a molecular weight of 240.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(dimethylamino)-2-methylpropyl]guanidine is sourced from PubChem (CID 62368756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).