3-[2-(2-butoxyethoxy)ethoxy]propanimidamide

C11H24N2O3 — CID 104563635

IUPAC3-[2-(2-butoxyethoxy)ethoxy]propanimidamide
SMILES[H]/N=C(\N)CCOCCOCCOCCCC
InChIInChI=1S/C11H24N2O3/c1-2-3-5-14-7-9-16-10-8-15-6-4-11(12)13/h2-10H2,1H3,(H3,12,13)
InChIKeyVJKDZFZJWYOZDL-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.16
Rot. Bonds12

About 3-[2-(2-butoxyethoxy)ethoxy]propanimidamide

3-[2-(2-butoxyethoxy)ethoxy]propanimidamide (PubChem CID 104563635) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-[2-(2-butoxyethoxy)ethoxy]propanimidamide.

Molecular Properties

Compound Name3-[2-(2-butoxyethoxy)ethoxy]propanimidamide
PubChem CID104563635
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name3-[2-(2-butoxyethoxy)ethoxy]propanimidamide
SMILES[H]/N=C(\N)CCOCCOCCOCCCC
InChIInChI=1S/C11H24N2O3/c1-2-3-5-14-7-9-16-10-8-15-6-4-11(12)13/h2-10H2,1H3,(H3,12,13)
InChIKeyVJKDZFZJWYOZDL-UHFFFAOYSA-N
XLogP1.16
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.16
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'}

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Related Compounds

4-hexoxybutanimidamide
CID 29003057
2-[2-(2-butoxyethoxy)ethoxy]ethyl carbamimidothioate
CID 104568452
3-(2-butoxyethoxy)butanimidamide
CID 114995138
butyl 3-butoxypropanimidate;hydrobromide
CID 162138066
3-(2,2-dimethylpropoxy)propanimidamide
CID 159874178
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide
CID 104563650
4-(3-methylbutoxy)butanimidamide
CID 24706267
3-butoxypropanamide;ethane
CID 176554640
3-iminoheptanimidamide
CID 158715697
3-[butyl(methyl)amino]propanimidamide
CID 24696065
3-[2,2-bis[(3-amino-3-iminopropoxy)methyl]-3-(2-cyanoethoxy)propoxy]propanimidamide;ethane
CID 143800393
1,10-bis(2-butoxyethoxy)decane
CID 90257337

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-butoxyethoxy)ethoxy]propanimidamide?
The IUPAC name of 3-[2-(2-butoxyethoxy)ethoxy]propanimidamide (CID 104563635) is 3-[2-(2-butoxyethoxy)ethoxy]propanimidamide.
What is the SMILES notation for 3-[2-(2-butoxyethoxy)ethoxy]propanimidamide?
The canonical SMILES for 3-[2-(2-butoxyethoxy)ethoxy]propanimidamide is [H]/N=C(\N)CCOCCOCCOCCCC.
What is the InChIKey of 3-[2-(2-butoxyethoxy)ethoxy]propanimidamide?
The InChIKey is VJKDZFZJWYOZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-2-3-5-14-7-9-16-10-8-15-6-4-11(12)13/h2-10H2,1H3,(H3,12,13).
What are the key properties of 3-[2-(2-butoxyethoxy)ethoxy]propanimidamide?
3-[2-(2-butoxyethoxy)ethoxy]propanimidamide has a molecular weight of 232.32 g/mol, XLogP of 1.16, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-butoxyethoxy)ethoxy]propanimidamide is sourced from PubChem (CID 104563635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).