2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride

C9H19Cl2N3O — CID 54610602

IUPAC2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride
SMILESCl.N/C(CCl)=N/CCCN1CCOCC1
InChIInChI=1S/C9H18ClN3O.ClH/c10-8-9(11)12-2-1-3-13-4-6-14-7-5-13;/h1-8H2,(H2,11,12);1H
InChIKeySIZVPXRDBKAXNO-UHFFFAOYSA-N
MW256.18 g/mol
LogP0.73
Rot. Bonds5

About 2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride

2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride (PubChem CID 54610602) has the molecular formula C9H19Cl2N3O and a molecular weight of 256.18 g/mol. Its IUPAC name is 2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride
PubChem CID54610602
Molecular FormulaC9H19Cl2N3O
Molecular Weight256.18 g/mol
Exact Mass255.09
IUPAC Name2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride
SMILESCl.N/C(CCl)=N/CCCN1CCOCC1
InChIInChI=1S/C9H18ClN3O.ClH/c10-8-9(11)12-2-1-3-13-4-6-14-7-5-13;/h1-8H2,(H2,11,12);1H
InChIKeySIZVPXRDBKAXNO-UHFFFAOYSA-N
XLogP0.73
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-morpholin-4-ylpropyl)propanimidamide
CID 63175512
N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide
CID 63175576
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905
1-amino-2-(2-morpholin-4-ylethyl)guanidine
CID 15114686
1-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056682
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
1-(3-cyclopentylpropyl)-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111062761
1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111033008
1-(3,5-dimethylphenyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111023507
2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041853
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride?
The IUPAC name of 2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride (CID 54610602) is 2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride.
What is the SMILES notation for 2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride?
The canonical SMILES for 2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride is Cl.N/C(CCl)=N/CCCN1CCOCC1.
What is the InChIKey of 2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride?
The InChIKey is SIZVPXRDBKAXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN3O.ClH/c10-8-9(11)12-2-1-3-13-4-6-14-7-5-13;/h1-8H2,(H2,11,12);1H.
What are the key properties of 2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride?
2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride has a molecular weight of 256.18 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 54610602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).