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

C11H25N3O2 — CID 61418773

IUPAC3-[bis(2-methoxyethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CCOC)CCOC
InChIInChI=1S/C11H25N3O2/c1-4-10(9-11(12)13)14(5-7-15-2)6-8-16-3/h10H,4-9H2,1-3H3,(H3,12,13)
InChIKeyVWJNOGXQYWSKGD-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.69
Rot. Bonds10

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

3-[bis(2-methoxyethyl)amino]pentanimidamide (PubChem CID 61418773) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]pentanimidamide
PubChem CID61418773
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3-[bis(2-methoxyethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CCOC)CCOC
InChIInChI=1S/C11H25N3O2/c1-4-10(9-11(12)13)14(5-7-15-2)6-8-16-3/h10H,4-9H2,1-3H3,(H3,12,13)
InChIKeyVWJNOGXQYWSKGD-UHFFFAOYSA-N
XLogP0.69
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.69
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]pentanimidamide?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]pentanimidamide (CID 61418773) is 3-[bis(2-methoxyethyl)amino]pentanimidamide.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]pentanimidamide?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(CCOC)CCOC.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]pentanimidamide?
The InChIKey is VWJNOGXQYWSKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-4-10(9-11(12)13)14(5-7-15-2)6-8-16-3/h10H,4-9H2,1-3H3,(H3,12,13).
What are the key properties of 3-[bis(2-methoxyethyl)amino]pentanimidamide?
3-[bis(2-methoxyethyl)amino]pentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 0.69, 10 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]pentanimidamide is sourced from PubChem (CID 61418773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).