(3-methylazetidin-1-yl)methanimine

C5H10N2 — CID 69073182

IUPAC(3-methylazetidin-1-yl)methanimine
SMILES[H]/N=C/N1CC(C)C1
InChIInChI=1S/C5H10N2/c1-5-2-7(3-5)4-6/h4-6H,2-3H2,1H3/b6-4+
InChIKeyRKQURTIXHNVQLU-GQCTYLIASA-N
MW98.15 g/mol
LogP0.55
Rot. Bonds1

About (3-methylazetidin-1-yl)methanimine

(3-methylazetidin-1-yl)methanimine (PubChem CID 69073182) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is (3-methylazetidin-1-yl)methanimine.

Molecular Properties

Compound Name(3-methylazetidin-1-yl)methanimine
PubChem CID69073182
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name(3-methylazetidin-1-yl)methanimine
SMILES[H]/N=C/N1CC(C)C1
InChIInChI=1S/C5H10N2/c1-5-2-7(3-5)4-6/h4-6H,2-3H2,1H3/b6-4+
InChIKeyRKQURTIXHNVQLU-GQCTYLIASA-N
XLogP0.55
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Azetidin-1-ylmethanimine
CID 20132304
1-(3-Methylazetidin-1-yl)ethanimine
CID 59894845
3-Ethylazetidine-1-carboximidamide
CID 89832889
3-Methylazetidine-1-carboximidamide
CID 89891968
Azetidine-1-carboximidamide;ethane
CID 91125059
N-methyl-N-(2-methylpropyl)methanimidamide
CID 123491740
N-methanimidoyl-N-(2-methylpropyl)methanimidamide
CID 123909827
Ethane;3-methylazetidine-1-carboximidamide
CID 144805312
N-ethyl-N-(2-methylpropyl)methanimidamide
CID 168946732
(3-Ethylazetidin-1-yl)methanimine
CID 173135588
3,3-Dimethylazetidine-1-carboximidamide
CID 130671704

Frequently Asked Questions

What is the IUPAC name of (3-methylazetidin-1-yl)methanimine?
The IUPAC name of (3-methylazetidin-1-yl)methanimine (CID 69073182) is (3-methylazetidin-1-yl)methanimine.
What is the SMILES notation for (3-methylazetidin-1-yl)methanimine?
The canonical SMILES for (3-methylazetidin-1-yl)methanimine is [H]/N=C/N1CC(C)C1.
What is the InChIKey of (3-methylazetidin-1-yl)methanimine?
The InChIKey is RKQURTIXHNVQLU-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10N2/c1-5-2-7(3-5)4-6/h4-6H,2-3H2,1H3/b6-4+.
What are the key properties of (3-methylazetidin-1-yl)methanimine?
(3-methylazetidin-1-yl)methanimine has a molecular weight of 98.15 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazetidin-1-yl)methanimine is sourced from PubChem (CID 69073182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).