3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide

C12H26N4O — CID 54996962

IUPAC3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCN1CCOCC1)C(C)C
InChIInChI=1S/C12H26N4O/c1-11(2)16(4-3-12(13)14)6-5-15-7-9-17-10-8-15/h11H,3-10H2,1-2H3,(H3,13,14)
InChIKeyDYTHFLBWRNMYNP-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.36
Rot. Bonds7

About 3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide

3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide (PubChem CID 54996962) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide
PubChem CID54996962
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCN1CCOCC1)C(C)C
InChIInChI=1S/C12H26N4O/c1-11(2)16(4-3-12(13)14)6-5-15-7-9-17-10-8-15/h11H,3-10H2,1-2H3,(H3,13,14)
InChIKeyDYTHFLBWRNMYNP-UHFFFAOYSA-N
XLogP0.36
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.36
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-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide?
The IUPAC name of 3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide (CID 54996962) is 3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide.
What is the SMILES notation for 3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide?
The canonical SMILES for 3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide is [H]/N=C(\N)CCN(CCN1CCOCC1)C(C)C.
What is the InChIKey of 3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide?
The InChIKey is DYTHFLBWRNMYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-11(2)16(4-3-12(13)14)6-5-15-7-9-17-10-8-15/h11H,3-10H2,1-2H3,(H3,13,14).
What are the key properties of 3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide?
3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide is sourced from PubChem (CID 54996962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).