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

C10H23N5 — CID 95441677

IUPAC2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine
SMILESCCN1CCN(CCCN=C(N)N)CC1
InChIInChI=1S/C10H23N5/c1-2-14-6-8-15(9-7-14)5-3-4-13-10(11)12/h2-9H2,1H3,(H4,11,12,13)
InChIKeyXQEKAWIMZRESCK-UHFFFAOYSA-N
MW213.33 g/mol
LogP-0.71
Rot. Bonds5

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

2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine (PubChem CID 95441677) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine
PubChem CID95441677
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine
SMILESCCN1CCN(CCCN=C(N)N)CC1
InChIInChI=1S/C10H23N5/c1-2-14-6-8-15(9-7-14)5-3-4-13-10(11)12/h2-9H2,1H3,(H4,11,12,13)
InChIKeyXQEKAWIMZRESCK-UHFFFAOYSA-N
XLogP-0.71
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111060330
1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine
CID 15052354
N'-(3-morpholin-4-ylpropyl)propanimidamide
CID 63175512
1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991555
4-[4-(4-ethylpiperazin-1-yl)butyl]aniline
CID 94274343
2-[4-(4-ethylpiperazin-1-yl)butyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111060405
ethyl 4-[[N'-[4-(4-ethylpiperazin-1-yl)butyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111060379
1-ethyl-4-undecylpiperazine
CID 21399231
1-ethyl-4-heptylpiperazine
CID 21399221
1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 142139915
(2S)-2-[3-[4-[3-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]propyl]piperazin-1-yl]propylamino]-5-(diaminomethylideneamino)pentanamide
CID 137409092
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine?
The IUPAC name of 2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine (CID 95441677) is 2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine.
What is the SMILES notation for 2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine?
The canonical SMILES for 2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine is CCN1CCN(CCCN=C(N)N)CC1.
What is the InChIKey of 2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine?
The InChIKey is XQEKAWIMZRESCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-2-14-6-8-15(9-7-14)5-3-4-13-10(11)12/h2-9H2,1H3,(H4,11,12,13).
What are the key properties of 2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine?
2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine has a molecular weight of 213.33 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine is sourced from PubChem (CID 95441677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).