N'-(3-morpholin-4-ylpropyl)propanimidamide

C10H21N3O — CID 63175512

IUPACN'-(3-morpholin-4-ylpropyl)propanimidamide
SMILESCC/C(N)=N\CCCN1CCOCC1
InChIInChI=1S/C10H21N3O/c1-2-10(11)12-4-3-5-13-6-8-14-9-7-13/h2-9H2,1H3,(H2,11,12)
InChIKeyDHCDINXOIYBLNV-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.48
Rot. Bonds5

About N'-(3-morpholin-4-ylpropyl)propanimidamide

N'-(3-morpholin-4-ylpropyl)propanimidamide (PubChem CID 63175512) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-(3-morpholin-4-ylpropyl)propanimidamide.

Molecular Properties

Compound NameN'-(3-morpholin-4-ylpropyl)propanimidamide
PubChem CID63175512
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-(3-morpholin-4-ylpropyl)propanimidamide
SMILESCC/C(N)=N\CCCN1CCOCC1
InChIInChI=1S/C10H21N3O/c1-2-10(11)12-4-3-5-13-6-8-14-9-7-13/h2-9H2,1H3,(H2,11,12)
InChIKeyDHCDINXOIYBLNV-UHFFFAOYSA-N
XLogP0.48
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride
CID 54610602
N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide
CID 63175576
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
1-(3,5-dimethylphenyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111023507
N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111060330
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844
1-[2-[ethyl(propyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111600589
3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111077888
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-prop-2-ynylguanidine
CID 136925418
2-[3-(4-ethylpiperazin-1-yl)propyl]guanidine
CID 95441677

Frequently Asked Questions

What is the IUPAC name of N'-(3-morpholin-4-ylpropyl)propanimidamide?
The IUPAC name of N'-(3-morpholin-4-ylpropyl)propanimidamide (CID 63175512) is N'-(3-morpholin-4-ylpropyl)propanimidamide.
What is the SMILES notation for N'-(3-morpholin-4-ylpropyl)propanimidamide?
The canonical SMILES for N'-(3-morpholin-4-ylpropyl)propanimidamide is CC/C(N)=N\CCCN1CCOCC1.
What is the InChIKey of N'-(3-morpholin-4-ylpropyl)propanimidamide?
The InChIKey is DHCDINXOIYBLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-10(11)12-4-3-5-13-6-8-14-9-7-13/h2-9H2,1H3,(H2,11,12).
What are the key properties of N'-(3-morpholin-4-ylpropyl)propanimidamide?
N'-(3-morpholin-4-ylpropyl)propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-morpholin-4-ylpropyl)propanimidamide is sourced from PubChem (CID 63175512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).