3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide

C10H23N3O2 — CID 61418727

IUPAC3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CCOC)CCOC
InChIInChI=1S/C10H23N3O2/c1-9(10(11)12)8-13(4-6-14-2)5-7-15-3/h9H,4-8H2,1-3H3,(H3,11,12)
InChIKeyFSUCOHDWWMZZBL-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.15
Rot. Bonds9

About 3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide

3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide (PubChem CID 61418727) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide
PubChem CID61418727
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CCOC)CCOC
InChIInChI=1S/C10H23N3O2/c1-9(10(11)12)8-13(4-6-14-2)5-7-15-3/h9H,4-8H2,1-3H3,(H3,11,12)
InChIKeyFSUCOHDWWMZZBL-UHFFFAOYSA-N
XLogP0.15
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.15
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 3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide (CID 61418727) is 3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CCOC)CCOC.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide?
The InChIKey is FSUCOHDWWMZZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-9(10(11)12)8-13(4-6-14-2)5-7-15-3/h9H,4-8H2,1-3H3,(H3,11,12).
What are the key properties of 3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide?
3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 61418727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).