3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide

C7H15N3O — CID 130979083

IUPAC3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CC(C)(O)C1
InChIInChI=1S/C7H15N3O/c1-7(11)4-10(5-7)3-2-6(8)9/h11H,2-5H2,1H3,(H3,8,9)
InChIKeyMCMNIMBKROPMPQ-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.62
Rot. Bonds3

About 3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide

3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide (PubChem CID 130979083) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide
PubChem CID130979083
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCN1CC(C)(O)C1
InChIInChI=1S/C7H15N3O/c1-7(11)4-10(5-7)3-2-6(8)9/h11H,2-5H2,1H3,(H3,8,9)
InChIKeyMCMNIMBKROPMPQ-UHFFFAOYSA-N
XLogP-0.62
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
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

3-(2,2,6,6-tetramethylmorpholin-4-yl)propanimidamide
CID 102744123
3-(4-methylpiperazin-1-yl)propanimidamide
CID 24709973
4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one
CID 130847612
4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide
CID 63610574
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propanimidamide
CID 63150581
3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide
CID 4108841
2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)ethanimidamide
CID 130948576
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanimidamide
CID 112625824
4-(4-propylpiperazin-1-yl)butanimidamide
CID 24694384
butanediimidamide;dihydrochloride
CID 88614640
3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
CID 103356379
3-(4-benzylpiperazin-1-yl)propanimidamide
CID 24689819

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide?
The IUPAC name of 3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide (CID 130979083) is 3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide?
The canonical SMILES for 3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide is [H]/N=C(\N)CCN1CC(C)(O)C1.
What is the InChIKey of 3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide?
The InChIKey is MCMNIMBKROPMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-7(11)4-10(5-7)3-2-6(8)9/h11H,2-5H2,1H3,(H3,8,9).
What are the key properties of 3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide?
3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide has a molecular weight of 157.22 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide is sourced from PubChem (CID 130979083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).