2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide

C18H30N2O — CID 106712401

IUPAC2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H30N2O/c1-13(2)15-9-8-14(3)16(12-15)21-11-7-6-10-18(4,5)17(19)20/h8-9,12-13H,6-7,10-11H2,1-5H3,(H3,19,20)
InChIKeyAAOWUYFRAMUQLU-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.63
Rot. Bonds8

About 2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide

2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide (PubChem CID 106712401) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide
PubChem CID106712401
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H30N2O/c1-13(2)15-9-8-14(3)16(12-15)21-11-7-6-10-18(4,5)17(19)20/h8-9,12-13H,6-7,10-11H2,1-5H3,(H3,19,20)
InChIKeyAAOWUYFRAMUQLU-UHFFFAOYSA-N
XLogP4.63
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide
CID 65251563
2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 65258501
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide
CID 107724712
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
5-(2-methoxy-4-methylphenoxy)-2,2-dimethylpentanimidamide
CID 65258595
2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
CID 2285673
6-(4-bromo-2-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712361
6-butan-2-yloxy-2,2-dimethylhexanimidamide
CID 106712397
6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712393
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide?
The IUPAC name of 2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide (CID 106712401) is 2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide.
What is the SMILES notation for 2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide?
The canonical SMILES for 2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOc1cc(C(C)C)ccc1C.
What is the InChIKey of 2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide?
The InChIKey is AAOWUYFRAMUQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)15-9-8-14(3)16(12-15)21-11-7-6-10-18(4,5)17(19)20/h8-9,12-13H,6-7,10-11H2,1-5H3,(H3,19,20).
What are the key properties of 2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide?
2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide has a molecular weight of 290.45 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide is sourced from PubChem (CID 106712401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).