1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine

C9H20N4 — CID 62405867

IUPAC1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine
SMILESCCN(C)CC/N=C(\N)NC1CC1
InChIInChI=1S/C9H20N4/c1-3-13(2)7-6-11-9(10)12-8-4-5-8/h8H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyDLNDPBCUQDWSPX-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.00
Rot. Bonds5

About 1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine

1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine (PubChem CID 62405867) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine
PubChem CID62405867
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine
SMILESCCN(C)CC/N=C(\N)NC1CC1
InChIInChI=1S/C9H20N4/c1-3-13(2)7-6-11-9(10)12-8-4-5-8/h8H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyDLNDPBCUQDWSPX-UHFFFAOYSA-N
XLogP0.00
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.00
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-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine (CID 62405867) is 1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine is CCN(C)CC/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine?
The InChIKey is DLNDPBCUQDWSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-3-13(2)7-6-11-9(10)12-8-4-5-8/h8H,3-7H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine?
1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine has a molecular weight of 184.29 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine is sourced from PubChem (CID 62405867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).