2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide

C16H26N2O — CID 65258501

IUPAC2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOc1cccc(C(C)C)c1
InChIInChI=1S/C16H26N2O/c1-12(2)13-7-5-8-14(11-13)19-10-6-9-16(3,4)15(17)18/h5,7-8,11-12H,6,9-10H2,1-4H3,(H3,17,18)
InChIKeySDAGVWNFUHSGAI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.93
Rot. Bonds7

About 2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide

2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide (PubChem CID 65258501) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
PubChem CID65258501
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCOc1cccc(C(C)C)c1
InChIInChI=1S/C16H26N2O/c1-12(2)13-7-5-8-14(11-13)19-10-6-9-16(3,4)15(17)18/h5,7-8,11-12H,6,9-10H2,1-4H3,(H3,17,18)
InChIKeySDAGVWNFUHSGAI-UHFFFAOYSA-N
XLogP3.93
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.93
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

N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 77063290
6-(3-chlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712293
2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
CID 64802030
2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide
CID 106712401
5-(3,4-dichlorophenoxy)-2,2-dimethylpentanimidamide
CID 65258017
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide
CID 106712403
2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide
CID 65251563
6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712393
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
2,2-dimethyl-5-propan-2-yloxypentanimidamide
CID 65258548
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide (CID 65258501) is 2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide is [H]/N=C(\N)C(C)(C)CCCOc1cccc(C(C)C)c1.
What is the InChIKey of 2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide?
The InChIKey is SDAGVWNFUHSGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)13-7-5-8-14(11-13)19-10-6-9-16(3,4)15(17)18/h5,7-8,11-12H,6,9-10H2,1-4H3,(H3,17,18).
What are the key properties of 2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide?
2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide has a molecular weight of 262.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide is sourced from PubChem (CID 65258501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).