N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide

C15H28N4O4 — CID 139678604

About N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide

N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide (PubChem CID 139678604) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide.

Molecular Properties

• Compound Name: N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide
• PubChem CID: 139678604
• Molecular Formula: C15H28N4O4
• Molecular Weight: 328.41 g/mol
• Exact Mass: 328.21
• IUPAC Name: N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide
• SMILES: CC1COCC1CN1CCN(C(C)OC(C)(C)C)C1=N[N+](=O)[O-]
• InChI: InChI=1S/C15H28N4O4/c1-11-9-22-10-13(11)8-17-6-7-18(14(17)16-19(20)21)12(2)23-15(3,4)5/h11-13H,6-10H2,1-5H3
• InChIKey: KDIPGUCMHRKVCE-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 80.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.41
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide?

The IUPAC name of N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide (CID 139678604) is N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide.

What is the SMILES notation for N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide?

The canonical SMILES for N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide is CC1COCC1CN1CCN(C(C)OC(C)(C)C)C1=N[N+](=O)[O-].

What is the InChIKey of N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide?

The InChIKey is KDIPGUCMHRKVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4/c1-11-9-22-10-13(11)8-17-6-7-18(14(17)16-19(20)21)12(2)23-15(3,4)5/h11-13H,6-10H2,1-5H3.

What are the key properties of N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide?

N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide has a molecular weight of 328.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide is sourced from PubChem (CID 139678604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).