2-cyclohexyl-1,3-di(propan-2-yl)guanidine

C13H27N3 — CID 10585300

IUPAC2-cyclohexyl-1,3-di(propan-2-yl)guanidine
SMILESCC(C)NC(=NC1CCCCC1)NC(C)C
InChIInChI=1S/C13H27N3/c1-10(2)14-13(15-11(3)4)16-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H2,14,15,16)
InChIKeyUSRSBUXIFGHZEX-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.67
Rot. Bonds3

About 2-cyclohexyl-1,3-di(propan-2-yl)guanidine

2-cyclohexyl-1,3-di(propan-2-yl)guanidine (PubChem CID 10585300) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1,3-di(propan-2-yl)guanidine
PubChem CID10585300
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-cyclohexyl-1,3-di(propan-2-yl)guanidine
SMILESCC(C)NC(=NC1CCCCC1)NC(C)C
InChIInChI=1S/C13H27N3/c1-10(2)14-13(15-11(3)4)16-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H2,14,15,16)
InChIKeyUSRSBUXIFGHZEX-UHFFFAOYSA-N
XLogP2.67
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-di(propan-2-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1,3-di(propan-2-yl)guanidine (CID 10585300) is 2-cyclohexyl-1,3-di(propan-2-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1,3-di(propan-2-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1,3-di(propan-2-yl)guanidine is CC(C)NC(=NC1CCCCC1)NC(C)C.
What is the InChIKey of 2-cyclohexyl-1,3-di(propan-2-yl)guanidine?
The InChIKey is USRSBUXIFGHZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-10(2)14-13(15-11(3)4)16-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H2,14,15,16).
What are the key properties of 2-cyclohexyl-1,3-di(propan-2-yl)guanidine?
2-cyclohexyl-1,3-di(propan-2-yl)guanidine has a molecular weight of 225.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 10585300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).