N'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide

C16H32N4O2 — CID 111041665

IUPACN'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide
SMILESCCC(CC)C(C/N=C(\N)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H32N4O2/c1-3-14(4-2)15(19-5-9-21-10-6-19)13-18-16(17)20-7-11-22-12-8-20/h14-15H,3-13H2,1-2H3,(H2,17,18)
InChIKeyTUKKSOPYDNDDOW-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.77
Rot. Bonds6

About N'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide

N'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide (PubChem CID 111041665) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide
PubChem CID111041665
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC NameN'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide
SMILESCCC(CC)C(C/N=C(\N)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H32N4O2/c1-3-14(4-2)15(19-5-9-21-10-6-19)13-18-16(17)20-7-11-22-12-8-20/h14-15H,3-13H2,1-2H3,(H2,17,18)
InChIKeyTUKKSOPYDNDDOW-UHFFFAOYSA-N
XLogP0.77
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.77
H-Bond Donors ≤ 51
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 N'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide (CID 111041665) is N'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide is CCC(CC)C(C/N=C(\N)N1CCOCC1)N1CCOCC1.
What is the InChIKey of N'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide?
The InChIKey is TUKKSOPYDNDDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-3-14(4-2)15(19-5-9-21-10-6-19)13-18-16(17)20-7-11-22-12-8-20/h14-15H,3-13H2,1-2H3,(H2,17,18).
What are the key properties of N'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide?
N'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide has a molecular weight of 312.46 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-2-morpholin-4-ylpentyl)morpholine-4-carboximidamide is sourced from PubChem (CID 111041665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).