6-butan-2-yloxy-2,2-dimethylhexanimidamide

C12H26N2O — CID 106712397

IUPAC6-butan-2-yloxy-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOC(C)CC
InChIInChI=1S/C12H26N2O/c1-5-10(2)15-9-7-6-8-12(3,4)11(13)14/h10H,5-9H2,1-4H3,(H3,13,14)
InChIKeyNXZSHVJYUGJRAT-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.93
Rot. Bonds8

About 6-butan-2-yloxy-2,2-dimethylhexanimidamide

6-butan-2-yloxy-2,2-dimethylhexanimidamide (PubChem CID 106712397) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 6-butan-2-yloxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-butan-2-yloxy-2,2-dimethylhexanimidamide
PubChem CID106712397
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name6-butan-2-yloxy-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCOC(C)CC
InChIInChI=1S/C12H26N2O/c1-5-10(2)15-9-7-6-8-12(3,4)11(13)14/h10H,5-9H2,1-4H3,(H3,13,14)
InChIKeyNXZSHVJYUGJRAT-UHFFFAOYSA-N
XLogP2.93
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.93
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-5-pentan-2-yloxypentanimidamide
CID 102982171
2,2-dimethyl-5-propan-2-yloxypentanimidamide
CID 65258548
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336
2,2-dimethyloctanimidamide
CID 58158153
2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanimidamide
CID 106712482
6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide
CID 106711950
2,2-dimethyl-6-(2,2,2-trifluoroethoxy)hexanimidamide
CID 106712308
2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide
CID 106712401
6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712393
5-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpentanimidamide
CID 65258029
2,2-dimethyl-5-(4,4,4-trifluorobutoxy)pentanimidamide
CID 82788258
5-[2-methoxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide
CID 65258033

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-butan-2-yloxy-2,2-dimethylhexanimidamide (CID 106712397) is 6-butan-2-yloxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-butan-2-yloxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-butan-2-yloxy-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCOC(C)CC.
What is the InChIKey of 6-butan-2-yloxy-2,2-dimethylhexanimidamide?
The InChIKey is NXZSHVJYUGJRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-10(2)15-9-7-6-8-12(3,4)11(13)14/h10H,5-9H2,1-4H3,(H3,13,14).
What are the key properties of 6-butan-2-yloxy-2,2-dimethylhexanimidamide?
6-butan-2-yloxy-2,2-dimethylhexanimidamide has a molecular weight of 214.35 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).