4-[bis(2-methoxyethyl)amino]butanimidamide

C10H23N3O2 — CID 61418680

IUPAC4-[bis(2-methoxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CCOC)CCOC
InChIInChI=1S/C10H23N3O2/c1-14-8-6-13(7-9-15-2)5-3-4-10(11)12/h3-9H2,1-2H3,(H3,11,12)
InChIKeyABABRWNNVRBIAC-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.30
Rot. Bonds10

About 4-[bis(2-methoxyethyl)amino]butanimidamide

4-[bis(2-methoxyethyl)amino]butanimidamide (PubChem CID 61418680) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]butanimidamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)amino]butanimidamide
PubChem CID61418680
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name4-[bis(2-methoxyethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(CCOC)CCOC
InChIInChI=1S/C10H23N3O2/c1-14-8-6-13(7-9-15-2)5-3-4-10(11)12/h3-9H2,1-2H3,(H3,11,12)
InChIKeyABABRWNNVRBIAC-UHFFFAOYSA-N
XLogP0.30
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 4-[bis(2-methoxyethyl)amino]butanimidamide?
The IUPAC name of 4-[bis(2-methoxyethyl)amino]butanimidamide (CID 61418680) is 4-[bis(2-methoxyethyl)amino]butanimidamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]butanimidamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)amino]butanimidamide is [H]/N=C(\N)CCCN(CCOC)CCOC.
What is the InChIKey of 4-[bis(2-methoxyethyl)amino]butanimidamide?
The InChIKey is ABABRWNNVRBIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-14-8-6-13(7-9-15-2)5-3-4-10(11)12/h3-9H2,1-2H3,(H3,11,12).
What are the key properties of 4-[bis(2-methoxyethyl)amino]butanimidamide?
4-[bis(2-methoxyethyl)amino]butanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)amino]butanimidamide is sourced from PubChem (CID 61418680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).