2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine

C11H24N4 — CID 55210400

IUPAC2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine
SMILESCCN(CC)CC(C)N/C(N)=N/C1CC1
InChIInChI=1S/C11H24N4/c1-4-15(5-2)8-9(3)13-11(12)14-10-6-7-10/h9-10H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyFQMGFYMPHDOSGS-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.78
Rot. Bonds6

About 2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine

2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine (PubChem CID 55210400) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine
PubChem CID55210400
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine
SMILESCCN(CC)CC(C)N/C(N)=N/C1CC1
InChIInChI=1S/C11H24N4/c1-4-15(5-2)8-9(3)13-11(12)14-10-6-7-10/h9-10H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyFQMGFYMPHDOSGS-UHFFFAOYSA-N
XLogP0.78
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.78
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 2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine?
The IUPAC name of 2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine (CID 55210400) is 2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine.
What is the SMILES notation for 2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine?
The canonical SMILES for 2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine is CCN(CC)CC(C)N/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine?
The InChIKey is FQMGFYMPHDOSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-4-15(5-2)8-9(3)13-11(12)14-10-6-7-10/h9-10H,4-8H2,1-3H3,(H3,12,13,14).
What are the key properties of 2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine?
2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine has a molecular weight of 212.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[1-(diethylamino)propan-2-yl]guanidine is sourced from PubChem (CID 55210400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).