4-butylmorpholine-2-carboximidamide

C9H19N3O — CID 79680820

IUPAC4-butylmorpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CCCC)CCO1
InChIInChI=1S/C9H19N3O/c1-2-3-4-12-5-6-13-8(7-12)9(10)11/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyKJZCUJVRFSLDNU-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.42
Rot. Bonds4

About 4-butylmorpholine-2-carboximidamide

4-butylmorpholine-2-carboximidamide (PubChem CID 79680820) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-butylmorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-butylmorpholine-2-carboximidamide
PubChem CID79680820
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-butylmorpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CCCC)CCO1
InChIInChI=1S/C9H19N3O/c1-2-3-4-12-5-6-13-8(7-12)9(10)11/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyKJZCUJVRFSLDNU-UHFFFAOYSA-N
XLogP0.42
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
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-methylmorpholine-2-carboximidamide
CID 75481075
4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine-2-carboximidamide
CID 107912519
4-nonylmorpholine-2-carbothioamide
CID 79681304
4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79675684
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79680379
methyl 4-octylmorpholine-2-carboxylate
CID 79002818
4-(2-methylmorpholin-4-yl)butanimidamide
CID 24700284
4-(4-methylpentyl)morpholine-2-carbothioamide
CID 83156168
2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 65258854
4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79671003
4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]morpholine-2-carboximidamide
CID 79681458
4-(3-hydroxypropyl)morpholine-2-carbothioamide
CID 79681555

Frequently Asked Questions

What is the IUPAC name of 4-butylmorpholine-2-carboximidamide?
The IUPAC name of 4-butylmorpholine-2-carboximidamide (CID 79680820) is 4-butylmorpholine-2-carboximidamide.
What is the SMILES notation for 4-butylmorpholine-2-carboximidamide?
The canonical SMILES for 4-butylmorpholine-2-carboximidamide is [H]/N=C(\N)C1CN(CCCC)CCO1.
What is the InChIKey of 4-butylmorpholine-2-carboximidamide?
The InChIKey is KJZCUJVRFSLDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-3-4-12-5-6-13-8(7-12)9(10)11/h8H,2-7H2,1H3,(H3,10,11).
What are the key properties of 4-butylmorpholine-2-carboximidamide?
4-butylmorpholine-2-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylmorpholine-2-carboximidamide is sourced from PubChem (CID 79680820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).