1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine

C13H27N5 — CID 110030051

IUPAC1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine
SMILESCCN1CCN(CC/N=C(\N)N(C)C2CC2)CC1
InChIInChI=1S/C13H27N5/c1-3-17-8-10-18(11-9-17)7-6-15-13(14)16(2)12-4-5-12/h12H,3-11H2,1-2H3,(H2,14,15)
InChIKeyJRSDFWJUFOCWDK-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.03
Rot. Bonds5

About 1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine

1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine (PubChem CID 110030051) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine
PubChem CID110030051
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine
SMILESCCN1CCN(CC/N=C(\N)N(C)C2CC2)CC1
InChIInChI=1S/C13H27N5/c1-3-17-8-10-18(11-9-17)7-6-15-13(14)16(2)12-4-5-12/h12H,3-11H2,1-2H3,(H2,14,15)
InChIKeyJRSDFWJUFOCWDK-UHFFFAOYSA-N
XLogP0.03
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine (CID 110030051) is 1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine is CCN1CCN(CC/N=C(\N)N(C)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine?
The InChIKey is JRSDFWJUFOCWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-3-17-8-10-18(11-9-17)7-6-15-13(14)16(2)12-4-5-12/h12H,3-11H2,1-2H3,(H2,14,15).
What are the key properties of 1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine?
1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine has a molecular weight of 253.39 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine is sourced from PubChem (CID 110030051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).