N'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide

C13H26N4O — CID 111055089

IUPACN'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide
SMILESCCC(C/N=C(\N)N1CCOCC1)N1CCCC1
InChIInChI=1S/C13H26N4O/c1-2-12(16-5-3-4-6-16)11-15-13(14)17-7-9-18-10-8-17/h12H,2-11H2,1H3,(H2,14,15)
InChIKeyULAPSKGHSWOSEO-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.51
Rot. Bonds4

About N'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide

N'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide (PubChem CID 111055089) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide
PubChem CID111055089
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide
SMILESCCC(C/N=C(\N)N1CCOCC1)N1CCCC1
InChIInChI=1S/C13H26N4O/c1-2-12(16-5-3-4-6-16)11-15-13(14)17-7-9-18-10-8-17/h12H,2-11H2,1H3,(H2,14,15)
InChIKeyULAPSKGHSWOSEO-UHFFFAOYSA-N
XLogP0.51
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide (CID 111055089) is N'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide is CCC(C/N=C(\N)N1CCOCC1)N1CCCC1.
What is the InChIKey of N'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide?
The InChIKey is ULAPSKGHSWOSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-2-12(16-5-3-4-6-16)11-15-13(14)17-7-9-18-10-8-17/h12H,2-11H2,1H3,(H2,14,15).
What are the key properties of N'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide?
N'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide has a molecular weight of 254.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide is sourced from PubChem (CID 111055089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).