3-methoxyazetidine-1-carboximidamide;hydrochloride

C5H12ClN3O — CID 154776397

IUPAC3-methoxyazetidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CC(OC)C1
InChIInChI=1S/C5H11N3O.ClH/c1-9-4-2-8(3-4)5(6)7;/h4H,2-3H2,1H3,(H3,6,7);1H
InChIKeySPMXGUUYWHGWRQ-UHFFFAOYSA-N
MW165.62 g/mol
LogP-0.37
Rot. Bonds1

About 3-methoxyazetidine-1-carboximidamide;hydrochloride

3-methoxyazetidine-1-carboximidamide;hydrochloride (PubChem CID 154776397) has the molecular formula C5H12ClN3O and a molecular weight of 165.62 g/mol. Its IUPAC name is 3-methoxyazetidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3-methoxyazetidine-1-carboximidamide;hydrochloride
PubChem CID154776397
Molecular FormulaC5H12ClN3O
Molecular Weight165.62 g/mol
Exact Mass165.07
IUPAC Name3-methoxyazetidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CC(OC)C1
InChIInChI=1S/C5H11N3O.ClH/c1-9-4-2-8(3-4)5(6)7;/h4H,2-3H2,1H3,(H3,6,7);1H
InChIKeySPMXGUUYWHGWRQ-UHFFFAOYSA-N
XLogP-0.37
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxyazetidine-1-carboximidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-methoxypiperidine-1-carboximidamide
CID 129383624
3-methoxypiperidine-1-carboximidamide
CID 19089238
(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide
CID 129495415
methyl 1-carbamimidoylazetidine-3-carboxylate
CID 178200661
4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide
CID 170614400
(3R,5S)-3,5-dimethylpiperazine-1-carboximidamide
CID 45088464
3-methoxycyclobutane-1-carboximidamide;hydrochloride
CID 105432531
N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide
CID 102963277
(3R,4S)-3-imidazol-1-yl-4-methoxypyrrolidine-1-carboximidamide
CID 129496972
4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935
(3S)-3-fluoropyrrolidine-1-carboximidamide
CID 129494117
(3aR,6aS)-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2-carboximidamide
CID 129495938

Frequently Asked Questions

What is the IUPAC name of 3-methoxyazetidine-1-carboximidamide;hydrochloride?
The IUPAC name of 3-methoxyazetidine-1-carboximidamide;hydrochloride (CID 154776397) is 3-methoxyazetidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for 3-methoxyazetidine-1-carboximidamide;hydrochloride?
The canonical SMILES for 3-methoxyazetidine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CC(OC)C1.
What is the InChIKey of 3-methoxyazetidine-1-carboximidamide;hydrochloride?
The InChIKey is SPMXGUUYWHGWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.ClH/c1-9-4-2-8(3-4)5(6)7;/h4H,2-3H2,1H3,(H3,6,7);1H.
What are the key properties of 3-methoxyazetidine-1-carboximidamide;hydrochloride?
3-methoxyazetidine-1-carboximidamide;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyazetidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 154776397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).