2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide

C10H18N4O2 — CID 116658982

IUPAC2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide
SMILES[H]/N=C(\N)C1CN(C(=O)NC2CCC2)CCO1
InChIInChI=1S/C10H18N4O2/c11-9(12)8-6-14(4-5-16-8)10(15)13-7-2-1-3-7/h7-8H,1-6H2,(H3,11,12)(H,13,15)
InChIKeyFRKCPDDECQYMKW-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.11
Rot. Bonds2

About 2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide

2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide (PubChem CID 116658982) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide
PubChem CID116658982
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide
SMILES[H]/N=C(\N)C1CN(C(=O)NC2CCC2)CCO1
InChIInChI=1S/C10H18N4O2/c11-9(12)8-6-14(4-5-16-8)10(15)13-7-2-1-3-7/h7-8H,1-6H2,(H3,11,12)(H,13,15)
InChIKeyFRKCPDDECQYMKW-UHFFFAOYSA-N
XLogP-0.11
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
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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Related Compounds

4-(piperidine-1-carbonyl)morpholine-2-carboximidamide
CID 79676441
2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 79675785
N-cyclopentyl-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79832616
N-cyclopropyl-2-methylmorpholine-4-carboxamide
CID 110310077
4-N-(1-benzylpiperidin-4-yl)morpholine-2,4-dicarboxamide
CID 49471723
4-methylmorpholine-2-carboximidamide
CID 75481075
4-N-[4-(4-tert-butylphenyl)cyclohexyl]morpholine-2,4-dicarboxamide
CID 138042903
2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide
CID 56911131
4-carbamimidoyl-N-cyclobutyl-4-methylpiperidine-1-carboxamide
CID 107162744
N-[3-(morpholine-4-carbonylamino)cyclohexyl]morpholine-4-carboxamide
CID 171722453
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
(3R)-3-amino-N-cyclopentylpyrrolidine-1-carboxamide
CID 115301653

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide?
The IUPAC name of 2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide (CID 116658982) is 2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide.
What is the SMILES notation for 2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide?
The canonical SMILES for 2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide is [H]/N=C(\N)C1CN(C(=O)NC2CCC2)CCO1.
What is the InChIKey of 2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide?
The InChIKey is FRKCPDDECQYMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c11-9(12)8-6-14(4-5-16-8)10(15)13-7-2-1-3-7/h7-8H,1-6H2,(H3,11,12)(H,13,15).
What are the key properties of 2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide?
2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide is sourced from PubChem (CID 116658982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).