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

C12H27N3O2 — CID 54985306

IUPAC3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CCCOC)CCOC
InChIInChI=1S/C12H27N3O2/c1-4-11(10-12(13)14)15(7-9-17-3)6-5-8-16-2/h11H,4-10H2,1-3H3,(H3,13,14)
InChIKeyUAQZLYBRDSQMIO-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.08
Rot. Bonds11

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

3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide (PubChem CID 54985306) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide
PubChem CID54985306
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CCCOC)CCOC
InChIInChI=1S/C12H27N3O2/c1-4-11(10-12(13)14)15(7-9-17-3)6-5-8-16-2/h11H,4-10H2,1-3H3,(H3,13,14)
InChIKeyUAQZLYBRDSQMIO-UHFFFAOYSA-N
XLogP1.08
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.08
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide?
The IUPAC name of 3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide (CID 54985306) is 3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide.
What is the SMILES notation for 3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide?
The canonical SMILES for 3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(CCCOC)CCOC.
What is the InChIKey of 3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide?
The InChIKey is UAQZLYBRDSQMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-4-11(10-12(13)14)15(7-9-17-3)6-5-8-16-2/h11H,4-10H2,1-3H3,(H3,13,14).
What are the key properties of 3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide?
3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.08, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(3-methoxypropyl)amino]pentanimidamide is sourced from PubChem (CID 54985306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).