2,2-dimethyl-4-pentoxybutanimidamide

C11H24N2O — CID 65251899

IUPAC2,2-dimethyl-4-pentoxybutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOCCCCC
InChIInChI=1S/C11H24N2O/c1-4-5-6-8-14-9-7-11(2,3)10(12)13/h4-9H2,1-3H3,(H3,12,13)
InChIKeyQCNRWXPQAHMHLC-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.55
Rot. Bonds8

About 2,2-dimethyl-4-pentoxybutanimidamide

2,2-dimethyl-4-pentoxybutanimidamide (PubChem CID 65251899) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2,2-dimethyl-4-pentoxybutanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-pentoxybutanimidamide
PubChem CID65251899
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2,2-dimethyl-4-pentoxybutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCOCCCCC
InChIInChI=1S/C11H24N2O/c1-4-5-6-8-14-9-7-11(2,3)10(12)13/h4-9H2,1-3H3,(H3,12,13)
InChIKeyQCNRWXPQAHMHLC-UHFFFAOYSA-N
XLogP2.55
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-pentoxybutanimidamide?
The IUPAC name of 2,2-dimethyl-4-pentoxybutanimidamide (CID 65251899) is 2,2-dimethyl-4-pentoxybutanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-pentoxybutanimidamide?
The canonical SMILES for 2,2-dimethyl-4-pentoxybutanimidamide is [H]/N=C(\N)C(C)(C)CCOCCCCC.
What is the InChIKey of 2,2-dimethyl-4-pentoxybutanimidamide?
The InChIKey is QCNRWXPQAHMHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-5-6-8-14-9-7-11(2,3)10(12)13/h4-9H2,1-3H3,(H3,12,13).
What are the key properties of 2,2-dimethyl-4-pentoxybutanimidamide?
2,2-dimethyl-4-pentoxybutanimidamide has a molecular weight of 200.33 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-pentoxybutanimidamide is sourced from PubChem (CID 65251899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).