3-morpholin-4-ylpentanimidamide

C9H19N3O — CID 43367795

IUPAC3-morpholin-4-ylpentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCOCC1
InChIInChI=1S/C9H19N3O/c1-2-8(7-9(10)11)12-3-5-13-6-4-12/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyMRJOKGQXUUDHHT-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.42
Rot. Bonds4

About 3-morpholin-4-ylpentanimidamide

3-morpholin-4-ylpentanimidamide (PubChem CID 43367795) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-morpholin-4-ylpentanimidamide.

Molecular Properties

Compound Name3-morpholin-4-ylpentanimidamide
PubChem CID43367795
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-morpholin-4-ylpentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCOCC1
InChIInChI=1S/C9H19N3O/c1-2-8(7-9(10)11)12-3-5-13-6-4-12/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyMRJOKGQXUUDHHT-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

2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 19369274
4-Morpholinobutanamidine
CID 24704187
1-Morpholin-4-ylbutan-1-imine
CID 62047580
N'-(3-morpholin-4-ylpropyl)butanimidamide
CID 63175513
1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine
CID 167020326
3-(2,6-Dimethylmorpholin-4-yl)propanamidine
CID 24691585
4-(2-Methylmorpholin-4-yl)butanimidamide
CID 24700284
4-(2,6-Dimethylmorpholin-4-yl)butanimidamide
CID 24702846
3-(2-Methylmorpholin-4-yl)propanimidamide
CID 24710324
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanimidamide
CID 28174307
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanimidamide
CID 28174310
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide
CID 28200529

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpentanimidamide?
The IUPAC name of 3-morpholin-4-ylpentanimidamide (CID 43367795) is 3-morpholin-4-ylpentanimidamide.
What is the SMILES notation for 3-morpholin-4-ylpentanimidamide?
The canonical SMILES for 3-morpholin-4-ylpentanimidamide is [H]/N=C(\N)CC(CC)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpentanimidamide?
The InChIKey is MRJOKGQXUUDHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-8(7-9(10)11)12-3-5-13-6-4-12/h8H,2-7H2,1H3,(H3,10,11).
What are the key properties of 3-morpholin-4-ylpentanimidamide?
3-morpholin-4-ylpentanimidamide 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 3-morpholin-4-ylpentanimidamide is sourced from PubChem (CID 43367795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).