1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine

C15H30N6O2 — CID 111829512

IUPAC1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
SMILESC/N=C(/NCCN1C(=O)CNC1=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C15H30N6O2/c1-11(2)20(12(3)4)8-6-17-14(16-5)18-7-9-21-13(22)10-19-15(21)23/h11-12H,6-10H2,1-5H3,(H,19,23)(H2,16,17,18)
InChIKeyBOLNBFHWSZZEDY-UHFFFAOYSA-N
MW326.45 g/mol
LogP-0.18
Rot. Bonds8

About 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine (PubChem CID 111829512) has the molecular formula C15H30N6O2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
PubChem CID111829512
Molecular FormulaC15H30N6O2
Molecular Weight326.45 g/mol
Exact Mass326.24
IUPAC Name1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
SMILESC/N=C(/NCCN1C(=O)CNC1=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C15H30N6O2/c1-11(2)20(12(3)4)8-6-17-14(16-5)18-7-9-21-13(22)10-19-15(21)23/h11-12H,6-10H2,1-5H3,(H,19,23)(H2,16,17,18)
InChIKeyBOLNBFHWSZZEDY-UHFFFAOYSA-N
XLogP-0.18
TPSA89.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
CID 111123536
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111828941
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2-ethylhexyl)-2-methylguanidine
CID 111827421
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[3-(N-ethylanilino)propyl]-2-methylguanidine;hydroiodide
CID 111831859
1-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
CID 111830519
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
CID 111831627
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111828318
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2,3-diphenylpropyl)-2-methylguanidine;hydroiodide
CID 109389807
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119148599
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111247052
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111180111
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111827798

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine (CID 111829512) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine is C/N=C(/NCCN1C(=O)CNC1=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine?
The InChIKey is BOLNBFHWSZZEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O2/c1-11(2)20(12(3)4)8-6-17-14(16-5)18-7-9-21-13(22)10-19-15(21)23/h11-12H,6-10H2,1-5H3,(H,19,23)(H2,16,17,18).
What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine?
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine has a molecular weight of 326.45 g/mol, XLogP of -0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine is sourced from PubChem (CID 111829512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).