N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide

C15H28N4O — CID 67866815

IUPACN-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide
SMILESCCCCC/N=C(/N=C1CCCN1C)N1CCOCC1
InChIInChI=1S/C15H28N4O/c1-3-4-5-8-16-15(19-10-12-20-13-11-19)17-14-7-6-9-18(14)2/h3-13H2,1-2H3/b16-15-,17-14?
InChIKeyXQEDVJREEZHXMS-CMZJVGECSA-N
MW280.42 g/mol
LogP1.99
Rot. Bonds4

About N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide

N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide (PubChem CID 67866815) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide
PubChem CID67866815
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide
SMILESCCCCC/N=C(/N=C1CCCN1C)N1CCOCC1
InChIInChI=1S/C15H28N4O/c1-3-4-5-8-16-15(19-10-12-20-13-11-19)17-14-7-6-9-18(14)2/h3-13H2,1-2H3/b16-15-,17-14?
InChIKeyXQEDVJREEZHXMS-CMZJVGECSA-N
XLogP1.99
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide?
The IUPAC name of N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide (CID 67866815) is N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide.
What is the SMILES notation for N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide?
The canonical SMILES for N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide is CCCCC/N=C(/N=C1CCCN1C)N1CCOCC1.
What is the InChIKey of N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide?
The InChIKey is XQEDVJREEZHXMS-CMZJVGECSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-4-5-8-16-15(19-10-12-20-13-11-19)17-14-7-6-9-18(14)2/h3-13H2,1-2H3/b16-15-,17-14?.
What are the key properties of N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide?
N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide has a molecular weight of 280.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide is sourced from PubChem (CID 67866815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).