1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine

C13H28N4 — CID 62635307

IUPAC1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(C)CC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C13H28N4/c1-11(2)17(3)10-9-15-13(14)16-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H3,14,15,16)
InChIKeyOEZCINIYZQEZIN-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.56
Rot. Bonds5

About 1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine

1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (PubChem CID 62635307) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
PubChem CID62635307
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(C)CC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C13H28N4/c1-11(2)17(3)10-9-15-13(14)16-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H3,14,15,16)
InChIKeyOEZCINIYZQEZIN-UHFFFAOYSA-N
XLogP1.56
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-[methyl(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (CID 62635307) is 1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is CC(C)N(C)CC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is OEZCINIYZQEZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-11(2)17(3)10-9-15-13(14)16-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H3,14,15,16).
What are the key properties of 1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 240.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 62635307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).