2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide

C14H21N3O3 — CID 65258216

IUPAC2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-10-5-6-11(17(18)19)12(9-10)20-8-4-7-14(2,3)13(15)16/h5-6,9H,4,7-8H2,1-3H3,(H3,15,16)
InChIKeyXGAVDXMARBRVPB-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.02
Rot. Bonds7

About 2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide

2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide (PubChem CID 65258216) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide
PubChem CID65258216
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-10-5-6-11(17(18)19)12(9-10)20-8-4-7-14(2,3)13(15)16/h5-6,9H,4,7-8H2,1-3H3,(H3,15,16)
InChIKeyXGAVDXMARBRVPB-UHFFFAOYSA-N
XLogP3.02
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide
CID 77063452
4-(5-fluoro-2-nitrophenoxy)-2,2-dimethylbutanimidamide
CID 65251842
5-(5-methyl-2-nitrophenoxy)pentanimidamide
CID 54966230
5-(2-methoxy-4-methylphenoxy)-2,2-dimethylpentanimidamide
CID 65258595
5-(2,5-difluoro-4-nitrophenoxy)-2,2-dimethylpentanimidamide
CID 65258662
6-(4-bromo-2-nitrophenoxy)-2,2-dimethylhexanimidamide
CID 106712456
4-(2,4-dimethyl-6-nitrophenoxy)-2,2-dimethylbutanimidamide
CID 65251788
5-(4-methyl-2-nitrophenoxy)pentanimidamide
CID 54965595
2-(5-methyl-2-nitrophenoxy)ethyl acetate
CID 10082949
tert-butyl carbamate;3-(5-methyl-2-nitrophenoxy)propanoic acid
CID 144684493
6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide
CID 106712487
2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide
CID 106712403

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide (CID 65258216) is 2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide is [H]/N=C(\N)C(C)(C)CCCOc1cc(C)ccc1[N+](=O)[O-].
What is the InChIKey of 2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide?
The InChIKey is XGAVDXMARBRVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-5-6-11(17(18)19)12(9-10)20-8-4-7-14(2,3)13(15)16/h5-6,9H,4,7-8H2,1-3H3,(H3,15,16).
What are the key properties of 2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide?
2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide has a molecular weight of 279.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide is sourced from PubChem (CID 65258216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).