3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide

C15H33N3O3 — CID 104563650

IUPAC3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CCOCCOCCOCCCC
InChIInChI=1S/C15H33N3O3/c1-4-5-7-19-9-11-21-12-10-20-8-6-18(3)14(2)13-15(16)17/h14H,4-13H2,1-3H3,(H3,16,17)
InChIKeyIQRPPZOSRHOXAX-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.48
Rot. Bonds15

About 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide

3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide (PubChem CID 104563650) has the molecular formula C15H33N3O3 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide.

Molecular Properties

Compound Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide
PubChem CID104563650
Molecular FormulaC15H33N3O3
Molecular Weight303.45 g/mol
Exact Mass303.25
IUPAC Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CCOCCOCCOCCCC
InChIInChI=1S/C15H33N3O3/c1-4-5-7-19-9-11-21-12-10-20-8-6-18(3)14(2)13-15(16)17/h14H,4-13H2,1-3H3,(H3,16,17)
InChIKeyIQRPPZOSRHOXAX-UHFFFAOYSA-N
XLogP1.48
TPSA80.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[methyl-[2-(3-methylbutoxy)ethyl]amino]butanimidamide
CID 63224607
3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63224608
3-(2-butoxyethoxy)butanimidamide
CID 114995138
3-[2-(2-butoxyethoxy)ethoxy]propanimidamide
CID 104563635
3-[2-(diethylamino)ethyl-methylamino]butanimidamide
CID 107912511
3-[methyl(2-propylsulfonylethyl)amino]butanimidamide
CID 106725449
3-[cyclopropylmethyl(methyl)amino]butanimidamide
CID 60984083
3-[3,3-dimethylbutyl(methyl)amino]butanimidamide
CID 63225019
N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide
CID 103180044
4-hexoxybutanimidamide
CID 29003057
3-[ethyl(propyl)amino]butanimidamide
CID 60913163
2-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 81055981

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide?
The IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide (CID 104563650) is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide.
What is the SMILES notation for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide?
The canonical SMILES for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide is [H]/N=C(\N)CC(C)N(C)CCOCCOCCOCCCC.
What is the InChIKey of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide?
The InChIKey is IQRPPZOSRHOXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O3/c1-4-5-7-19-9-11-21-12-10-20-8-6-18(3)14(2)13-15(16)17/h14H,4-13H2,1-3H3,(H3,16,17).
What are the key properties of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide?
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide has a molecular weight of 303.45 g/mol, XLogP of 1.48, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide is sourced from PubChem (CID 104563650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).