N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide

C17H32N4O4 — CID 139678375

IUPACN-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide
SMILESCCC(OCC(C)C)N1CCN(CC2COC(C)(C)C2)C1=N[N+](=O)[O-]
InChIInChI=1S/C17H32N4O4/c1-6-15(24-11-13(2)3)20-8-7-19(16(20)18-21(22)23)10-14-9-17(4,5)25-12-14/h13-15H,6-12H2,1-5H3
InChIKeyFWMYNCJZOVDCKQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.38
Rot. Bonds8

About N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide

N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide (PubChem CID 139678375) has the molecular formula C17H32N4O4 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide.

Molecular Properties

Compound NameN-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide
PubChem CID139678375
Molecular FormulaC17H32N4O4
Molecular Weight356.47 g/mol
Exact Mass356.24
IUPAC NameN-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide
SMILESCCC(OCC(C)C)N1CCN(CC2COC(C)(C)C2)C1=N[N+](=O)[O-]
InChIInChI=1S/C17H32N4O4/c1-6-15(24-11-13(2)3)20-8-7-19(16(20)18-21(22)23)10-14-9-17(4,5)25-12-14/h13-15H,6-12H2,1-5H3
InChIKeyFWMYNCJZOVDCKQ-UHFFFAOYSA-N
XLogP2.38
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.38
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'}

Analyze N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-methyloxolan-3-yl)methyl]-3-(1-propan-2-yloxypropyl)imidazolidin-2-ylidene]nitramide
CID 139678677
phenyl 3-[(5,5-dimethyloxolan-3-yl)methyl]-2-nitroiminoimidazolidine-1-carboxylate
CID 139678769
N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[2-(3-ethylphenyl)ethenyl]imidazolidin-2-ylidene]nitramide
CID 139678802
N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-(pyridine-2-carbonyl)imidazolidin-2-ylidene]nitramide
CID 139678684
N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[2-(3-nitrophenyl)ethenyl]imidazolidin-2-ylidene]nitramide
CID 139678258
N-[1-[(4-methyloxolan-3-yl)methyl]-3-[1-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-ylidene]nitramide
CID 139678604
N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
CID 19965226
N,N-dimethyl-2-nitroimino-3-(oxolan-3-ylmethyl)-1,3-diazinane-1-carboxamide
CID 139678421
N-[1-(3,3-dimethylbutanoyl)-3-[(5-methyloxolan-3-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 139678301
N-[1-[2-(2-bromophenyl)ethenyl]-3-[(5-methyloxolan-3-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 139678560
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide?
The IUPAC name of N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide (CID 139678375) is N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide.
What is the SMILES notation for N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide?
The canonical SMILES for N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide is CCC(OCC(C)C)N1CCN(CC2COC(C)(C)C2)C1=N[N+](=O)[O-].
What is the InChIKey of N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide?
The InChIKey is FWMYNCJZOVDCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O4/c1-6-15(24-11-13(2)3)20-8-7-19(16(20)18-21(22)23)10-14-9-17(4,5)25-12-14/h13-15H,6-12H2,1-5H3.
What are the key properties of N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide?
N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide has a molecular weight of 356.47 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5,5-dimethyloxolan-3-yl)methyl]-3-[1-(2-methylpropoxy)propyl]imidazolidin-2-ylidene]nitramide is sourced from PubChem (CID 139678375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).