1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine

C14H29N5 — CID 75532405

IUPAC1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine
SMILESCCN1CCN(CC(C)C/N=C(\N)NC2CC2)CC1
InChIInChI=1S/C14H29N5/c1-3-18-6-8-19(9-7-18)11-12(2)10-16-14(15)17-13-4-5-13/h12-13H,3-11H2,1-2H3,(H3,15,16,17)
InChIKeyGYISOPOJROFLGZ-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.33
Rot. Bonds6

About 1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine

1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine (PubChem CID 75532405) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine
PubChem CID75532405
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC Name1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine
SMILESCCN1CCN(CC(C)C/N=C(\N)NC2CC2)CC1
InChIInChI=1S/C14H29N5/c1-3-18-6-8-19(9-7-18)11-12(2)10-16-14(15)17-13-4-5-13/h12-13H,3-11H2,1-2H3,(H3,15,16,17)
InChIKeyGYISOPOJROFLGZ-UHFFFAOYSA-N
XLogP0.33
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.33
H-Bond Donors ≤ 52
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-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine (CID 75532405) is 1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine is CCN1CCN(CC(C)C/N=C(\N)NC2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine?
The InChIKey is GYISOPOJROFLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-3-18-6-8-19(9-7-18)11-12(2)10-16-14(15)17-13-4-5-13/h12-13H,3-11H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine?
1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine has a molecular weight of 267.42 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine is sourced from PubChem (CID 75532405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).