1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine

C14H27N5O2 — CID 111121566

IUPAC1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine
SMILESCCNC(=NCCCN1C(=O)NC(C)(CC)C1=O)NCC
InChIInChI=1S/C14H27N5O2/c1-5-14(4)11(20)19(13(21)18-14)10-8-9-17-12(15-6-2)16-7-3/h5-10H2,1-4H3,(H,18,21)(H2,15,16,17)
InChIKeyCTALNRAHABFFFN-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.67
Rot. Bonds7

About 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine

1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine (PubChem CID 111121566) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine
PubChem CID111121566
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine
SMILESCCNC(=NCCCN1C(=O)NC(C)(CC)C1=O)NCC
InChIInChI=1S/C14H27N5O2/c1-5-14(4)11(20)19(13(21)18-14)10-8-9-17-12(15-6-2)16-7-3/h5-10H2,1-4H3,(H,18,21)(H2,15,16,17)
InChIKeyCTALNRAHABFFFN-UHFFFAOYSA-N
XLogP0.67
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'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 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine?
The IUPAC name of 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine (CID 111121566) is 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine?
The canonical SMILES for 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine is CCNC(=NCCCN1C(=O)NC(C)(CC)C1=O)NCC.
What is the InChIKey of 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine?
The InChIKey is CTALNRAHABFFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-5-14(4)11(20)19(13(21)18-14)10-8-9-17-12(15-6-2)16-7-3/h5-10H2,1-4H3,(H,18,21)(H2,15,16,17).
What are the key properties of 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine?
1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine has a molecular weight of 297.40 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111121566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).