2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine

C12H23N5O2 — CID 13452927

IUPAC2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine
SMILESCC(C)CC1NC(=O)C(CCCN=C(N)N)NC1=O
InChIInChI=1S/C12H23N5O2/c1-7(2)6-9-11(19)16-8(10(18)17-9)4-3-5-15-12(13)14/h7-9H,3-6H2,1-2H3,(H,16,19)(H,17,18)(H4,13,14,15)
InChIKeyITXHVWPICGMUBU-UHFFFAOYSA-N
MW269.35 g/mol
LogP-0.93
Rot. Bonds6

About 2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine

2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine (PubChem CID 13452927) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine
PubChem CID13452927
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine
SMILESCC(C)CC1NC(=O)C(CCCN=C(N)N)NC1=O
InChIInChI=1S/C12H23N5O2/c1-7(2)6-9-11(19)16-8(10(18)17-9)4-3-5-15-12(13)14/h7-9H,3-6H2,1-2H3,(H,16,19)(H,17,18)(H4,13,14,15)
InChIKeyITXHVWPICGMUBU-UHFFFAOYSA-N
XLogP-0.93
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
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

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Cyclo(alanyl-leucyl)
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Ac-ARA-NH2
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N-(4-Amino-5-oxo-5-piperidin-1-yl-pentyl)-guanidine
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N-acetyl-l-norvalyl-l-arginyl-l-valinamide
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(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
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3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
3-(2-Butanyl)-6-methyl-2,5-piperazinedione
CID 45359405
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CID 71359704

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine?
The IUPAC name of 2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine (CID 13452927) is 2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine.
What is the SMILES notation for 2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine?
The canonical SMILES for 2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine is CC(C)CC1NC(=O)C(CCCN=C(N)N)NC1=O.
What is the InChIKey of 2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine?
The InChIKey is ITXHVWPICGMUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-7(2)6-9-11(19)16-8(10(18)17-9)4-3-5-15-12(13)14/h7-9H,3-6H2,1-2H3,(H,16,19)(H,17,18)(H4,13,14,15).
What are the key properties of 2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine?
2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine has a molecular weight of 269.35 g/mol, XLogP of -0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propyl]guanidine is sourced from PubChem (CID 13452927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).