N-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide

C15H28N4O4 — CID 139678677

IUPACN-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide
SMILESCCC(OC(C)C)N1CCN(CC2COCC2C)C1=N[N+](=O)[O-]
InChIInChI=1S/C15H28N4O4/c1-5-14(23-11(2)3)18-7-6-17(15(18)16-19(20)21)8-13-10-22-9-12(13)4/h11-14H,5-10H2,1-4H3
InChIKeyYLGUVQPIEXAPJM-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.60
Rot. Bonds7

About N-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide

N-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide (PubChem CID 139678677) 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-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide.

Molecular Properties

Compound NameN-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide
PubChem CID139678677
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC NameN-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide
SMILESCCC(OC(C)C)N1CCN(CC2COCC2C)C1=N[N+](=O)[O-]
InChIInChI=1S/C15H28N4O4/c1-5-14(23-11(2)3)18-7-6-17(15(18)16-19(20)21)8-13-10-22-9-12(13)4/h11-14H,5-10H2,1-4H3
InChIKeyYLGUVQPIEXAPJM-UHFFFAOYSA-N
XLogP1.60
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide
CID 139678604
N-[1-[(4-methyloxolan-3-yl)methyl]-3-prop-2-ynylimidazolidin-2-ylidene]nitramide
CID 139678290
N-[1-dimethylphosphoryl-3-[(4-methyloxolan-3-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 139678586
N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide
CID 139678375
(4-methylphenyl) 3-[(4-methyloxolan-3-yl)methyl]-2-nitroiminoimidazolidine-1-carboxylate
CID 139678475
N-[1-[(4-methyloxolan-3-yl)methyl]-3-[2-(4-methylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide
CID 139678295
(3-chlorophenyl) 3-[(4-methyloxolan-3-yl)methyl]-2-nitroiminoimidazolidine-1-carboxylate
CID 139678443
N-[1-[2-(2,4-dimethylphenyl)ethenyl]-3-[(4-methyloxolan-3-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 139678566
phenyl 3-[(5,5-dimethyloxolan-3-yl)methyl]-2-nitroiminoimidazolidine-1-carboxylate
CID 139678769
N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-(pyridine-2-carbonyl)imidazolidin-2-ylidene]nitramide
CID 139678684
N-[1-(3,3-dimethylbutanoyl)-3-[(5-methyloxolan-3-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 139678301
2-[chloro(nitro)methylidene]-1-methyl-3-[(4-methyloxolan-3-yl)methyl]-1,3-diazinane
CID 139703004

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide?
The IUPAC name of N-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide (CID 139678677) is N-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide.
What is the SMILES notation for N-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide?
The canonical SMILES for N-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide is CCC(OC(C)C)N1CCN(CC2COCC2C)C1=N[N+](=O)[O-].
What is the InChIKey of N-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide?
The InChIKey is YLGUVQPIEXAPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4/c1-5-14(23-11(2)3)18-7-6-17(15(18)16-19(20)21)8-13-10-22-9-12(13)4/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide?
N-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide has a molecular weight of 328.41 g/mol, XLogP of 1.60, 7 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-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide is sourced from PubChem (CID 139678677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).