(5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one

C15H30N4O — CID 135937500

IUPAC(5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one
SMILESCC(C)(C)/N=C1\NC(=O)N(C(C)(C)C)[C@H]1NC(C)(C)C
InChIInChI=1S/C15H30N4O/c1-13(2,3)17-10-11(18-14(4,5)6)19(12(20)16-10)15(7,8)9/h11,18H,1-9H3,(H,16,17,20)/t11-/m1/s1
InChIKeyNMNFONWSEMOPKM-LLVKDONJSA-N
MW282.43 g/mol
LogP2.72
Rot. Bonds1

About (5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one

(5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one (PubChem CID 135937500) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is (5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one.

Molecular Properties

Compound Name(5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one
PubChem CID135937500
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name(5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one
SMILESCC(C)(C)/N=C1\NC(=O)N(C(C)(C)C)[C@H]1NC(C)(C)C
InChIInChI=1S/C15H30N4O/c1-13(2,3)17-10-11(18-14(4,5)6)19(12(20)16-10)15(7,8)9/h11,18H,1-9H3,(H,16,17,20)/t11-/m1/s1
InChIKeyNMNFONWSEMOPKM-LLVKDONJSA-N
XLogP2.72
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-Diaminoethyl)-5-(propan-2-ylidenehydrazinylidene)imidazolidin-2-one
CID 87805685
4-ethyl-6,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione;propane
CID 91158298
1-tert-butyl-3-[(3R)-1-ethanimidoylpyrrolidin-3-yl]urea
CID 118591679
1-Tert-butyl-4-iminoimidazolidin-2-one
CID 146939038
N-[2-(dimethylamino)ethyl]-2-methyl-4,5-dihydroimidazole-1-carboxamide
CID 158798733
(5S)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one
CID 135937501

Frequently Asked Questions

What is the IUPAC name of (5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one?
The IUPAC name of (5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one (CID 135937500) is (5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one.
What is the SMILES notation for (5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one?
The canonical SMILES for (5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one is CC(C)(C)/N=C1\NC(=O)N(C(C)(C)C)[C@H]1NC(C)(C)C.
What is the InChIKey of (5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one?
The InChIKey is NMNFONWSEMOPKM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H30N4O/c1-13(2,3)17-10-11(18-14(4,5)6)19(12(20)16-10)15(7,8)9/h11,18H,1-9H3,(H,16,17,20)/t11-/m1/s1.
What are the key properties of (5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one?
(5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one has a molecular weight of 282.43 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-tert-butyl-5-(tert-butylamino)-4-tert-butyliminoimidazolidin-2-one is sourced from PubChem (CID 135937500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).