2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide

C14H21N3O3 — CID 106712403

IUPAC2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3/c1-14(2,13(15)16)8-3-4-9-20-12-7-5-6-11(10-12)17(18)19/h5-7,10H,3-4,8-9H2,1-2H3,(H3,15,16)
InChIKeyXEVGQCPQTDEHAO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.11
Rot. Bonds8

About 2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide

2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide (PubChem CID 106712403) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide
PubChem CID106712403
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3/c1-14(2,13(15)16)8-3-4-9-20-12-7-5-6-11(10-12)17(18)19/h5-7,10H,3-4,8-9H2,1-2H3,(H3,15,16)
InChIKeyXEVGQCPQTDEHAO-UHFFFAOYSA-N
XLogP3.11
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.11
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

6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712293
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide
CID 106712487
1-nitro-3-octoxybenzene
CID 3442932
2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 65258501
6-(4-bromo-2-nitrophenoxy)-2,2-dimethylhexanimidamide
CID 106712456
2,2-dimethyl-3-(3-nitrophenoxy)propanamide
CID 82041475
3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxybenzoic acid
CID 19091760
5-(2,5-difluoro-4-nitrophenoxy)-2,2-dimethylpentanimidamide
CID 65258662
2,2-dimethyl-5-(5-methyl-2-nitrophenoxy)pentanimidamide
CID 65258216
6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide
CID 106712416
5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide
CID 65258017

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide?
The IUPAC name of 2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide (CID 106712403) is 2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide.
What is the SMILES notation for 2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide?
The canonical SMILES for 2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide?
The InChIKey is XEVGQCPQTDEHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,13(15)16)8-3-4-9-20-12-7-5-6-11(10-12)17(18)19/h5-7,10H,3-4,8-9H2,1-2H3,(H3,15,16).
What are the key properties of 2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide?
2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide has a molecular weight of 279.34 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide is sourced from PubChem (CID 106712403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).